МНОГОКАНАЛЬНАЯ РЕГИСТРАЦИЯ

Масс-спектрометр и способ масс-спектрометрии, в которых заряженные частицы в пучке подвергаются многократным изменениям направления. Регистрирующая установка регистрирует первую часть пучка заряженных частиц и обеспечивает первый выходной сигнал на основе интенсивности зарегистрированной первой части пучка заряженных частиц. Регистрирующая установка регистрирует вторую часть пучка заряженных частиц, которая прошла больший отрезок траектории через масс-спектрометр, чем первая часть пучка заряженных частиц, и обеспечивает второй выходной сигнал на основе зарегистрированной второй части пучка заряженных частиц. Контроллер регулирует параметры пучка заряженных частиц и (или) регистрирующей установки на основе первого выходного сигнала регистрирующей установки, с тем чтобы регулировать второй выходной сигнал регистрирующей установки. Технический результат - повышение разрешения по массе. 3 н. и 48 з.п. ф-лы, 4 ил.

КВАДРУПОЛЬНЫЙ МАСС-СПЕКТРОМЕТР

Изобретение относится к области масс-спектрометрии. Заявленный квадрупольный масс-спектрометр содержит источник ионов, квадрупольный масс-анализатор, включающий четыре полеобразующих электрода в форме круговых или гиперболических цилиндров, расположенных параллельно и симметрично относительно центральной оси анализатора, и приемник ионов. Причем каждый из полеобразующих электродов анализатора со стороны его входа снабжен сквозным щелевым отверстием, параллельным оси анализатора и лежащим в плоскости его симметрии. Начало каждого из отверстий расположено на расстоянии (0.5-4.0)r0 от входных торцов анализатора, протяженность отверстий вдоль оси внутрь анализатора составляет (2.0-5.0)r0, а ширина отверстий (0.2-0.8)r0, где r0 - минимальное расстояние от оси масс-анализатора до каждого из полеобразующих электродов анализатора. Технический результат - исключение появления полупроводящих пленок и «блуждающих» паразитных потенциалов на электродах масс-анализатора и, таким образом, устранение причин ...

СПЕКТРОМЕТРЫ ПОДВИЖНОСТИ ИОНОВ

Заявленное изобретение относится к спектрометрам подвижности ионов. Заявленное устройство имеет реакционную область, отделенную от области электростатическим затвором. В реакционную область подается легирующее вещество из контура легирования, а дрейфовая область не легируется. В дрейфовой области установлены друг за другом два модификатора ионов, создающих сильное поле. Может быть включен один модификатор для удаления аддуктов легирования из ионов или могут быть включены оба модификатора, чтобы ионы также подвергались фрагментации. Техническим результатом является возможность получения нескольких разных ответных сигналов, дающих дополнительную информацию о природе анализируемого вещества и позволяющих отличить его от посторонних примесей. 7 з.п. ф-лы, 1 ил.

СПЕКТРОМЕТР ИОННОЙ ПОДВИЖНОСТИ

Изобретение относится к области аналитического приборостроения, в частности к определению состава жидких и газовых проб, предварительному разделению проб на фракции в масс-спектрометрии. Техническим результатом изобретения является повышение селективности, повышение чувствительности, увеличение быстродействия, возможность работы в разных режимах. Технический результат достигается тем, что в спектрометре ионной подвижности, содержащем камеру ионообразования, источник ионов, дрейфовую трубку с коллектором, и апертурным элементом, образующими область выталкивания, выталкивающий электрод и ионный затвор, ввод дрейфового газа в область дрейфа, систему питания источник ионов содержит корпус ионизатора аксиально-симметричной формы, на стенках корпуса ионизатора установлены радиально направленные устройства ввода и ионизации пробы анализируемого вещества, точка пересечения осей устройств ввода расположена напротив вершины апертурного элемента, выполненного в виде стенки выпуклой формы с отверстием ...

ВРЕМЯПРОЛЕТНЫЙ МАСС-СПЕКТРОМЕТР С АВТОМАТИЧЕСКОЙ НАСТРОЙКОЙ НЕЛИНЕЙНОГО ОТРАЖАТЕЛЯ

Назначение: масс-спектрометрия, преимущественно для космических исследований и для применения в других областях при условиях жестких ограничений массы и габаритов.Сущность полезной модели: времяпролетный масс-спектрометр снабжен нелинейным отражателем, выполненным в виде набора кольцевых электродов, задающих расчетное распределение потенциала, приемником и источником ионов. Полезная модель позволяет повысить разрешающую способность и чувствительность прибора за счет уменьшения временной дисперсии ионных пакетов в плоскости приемника. 1 ил.

Охлаждаемая линейная ионная ловушка для квантовых вычислений с высокими секулярными частотами

Полезная модель относится к квантовой технике и может быть использована для квантовых вычислений на ультрахолодных ионах с высокой скоростью выполнения операций. Целью предлагаемой полезной модели является обеспечение возможности повышения достижимой секулярной частоты колебаний ионов без изменения геометрии ловушки ввиду теплового расширения элементов конструкции ловушки за счет омических потерь. Техническим результатом является обеспечение улучшения охлаждения конструкции ловушки. Технический результат достигается тем, что введена медная трубка с открытыми концами, которые находятся на противолежащей относительно ионной ловушки стороне фланца, при этом медная трубка частично находится по одну сторону с ионной ловушкой относительно фланца и соединена теплоотводом с основанием ловушки, при этом теплоотвод выполнен в виде набора медных проволок сечением от 0,05 мм до 0,3 мм, и общее количество проволок составляет от 100 до 1000, а медная трубка выполнена изогнутой, кроме того, теплоотвод ...

ЭНЕРГЕТИЧЕСКИЙ ФИЛЬТР ИОНОВ

Аксиально-симметричный энергетический фильтр заряженных частиц, содержащий две одиночные линзы, первая из которых, ближняя к источнику частиц, образована крайними заземленными и электрически связанными между собой цилиндрическими электродами и внутренним по отношению к ним фокусирующим цилиндрическим электродом; вторая по счету от источника линза образована крайними заземленными и электрически связанными между собой цилиндрическими электродами и внутренним по отношению к ним фокусирующим цилиндрическим электродом; дырочную осевую диафрагму, размещенную в пространстве между первой и второй линзами; вырезанное в основании цилиндрического электрода и затянутое мелкоструктурной металлической сеткой круглое выходное окно, отличающийся тем, что на фокусирующий электрод первой линзы подается потенциал, обеспечивающий угловую фокусировку частиц, влетающих в линзу в фиксированном диапазоне начальных углов сквозь круглую апертуру и с определенной начальной энергией, на отверстии диафрагмы и их транспортировку ...

ЭЛЕКТРОСТАТИЧЕСКИЙ АНАЛИЗАТОР ЭНЕРГИИ ЗАРЯЖЕННЫХ ЧАСТИЦ

Анализатор энергии заряженных частиц включает коаксиально расположенные внешний электрод (1) и внутренний цилиндрический заземленный электрод (4), защитный заземленный передний электрод (8), закрепленный на торце внутреннего цилиндрического электрода (4), защитный задний электрод (9), детектор, первый источник питания и второй источник питания. Внешний электрод (1) выполнен из переднего конусного сегмента (2), расширяющегося по ходу заряженных частиц под углом β=(5-20)° относительно оси анализатора, и заднего цилиндрического сегмента (3), выполненного сплошным и электрически соединенного с защитным задним электродом (9) и со вторым источником питания, передний конусный сегмент (2) внешнего электрода (1) состоит из n=(4-5) изолированных частей (5), напряжение на которых возрастает по закону нечетных чисел (2n-1), внутренний цилиндрический электрод (4) снабжен выходными кольцевыми щелями (7), затянутыми металлической сеткой, для пучков заряженных частиц, детектор выполнен в виде плоских электродов ...

МАСС-СПЕКТРОМЕТР ДЛЯ ГАЗОВОГО АНАЛИЗА

Использование: в приборостроении, в частности в массо-спектрометрии, и может быть использовано в металлургии, экологии, медицине и других областях науки, техники и в производстве, где имеют место процессы, связанные с газовыделением. Сущность изобретения: в масс-спектрометре, включающем камеру масс-анализатора с источником ионизации, источником ионов и детектором, систему напуска газа и систему безмасляной откачки, источник ионов помещен в отдельную камеру, соединенную с системой напуска газа, имеющую входное окно для ионизирующего потока и узел для выхода ионов, выполненный в виде не более двух окон и/или патрубков, причем их размеры удовлетворяют соотношениям: A 1 оп = A 2 оп = Aоп ≥ Aои, , UИ(x) = SН(x)N, I Подробнее

ИСТОЧНИК ИОНИЗАЦИИ НА ОСНОВЕ БАРЬЕРНОГО РАЗРЯДА

Изобретение относится к области газового анализа, а именно к технике генерации заряженных ионов в воздушной среде или в других газах, и может быть использовано в качестве источника ионов в спектрометрах ионной подвижности, масс-спектрометрах и других аналитических приборах. В устройстве для получения ионов, содержащем ионизационную камеру, включающую первый электрод, расположенный напротив него второй электрод, и диэлектрический элемент, установленный между первым и вторым электродами и плотно примыкающий к рабочей поверхности первого электрода, а также источник высоковольтного напряжения, согласно полезной модели, второй электрод выполнен в виде металлического колпачка, охватывающего диэлектрический элемент с установленным на нем первым электродом, причем донце второго электрода выполнено в виде решетки, с обеих сторон покрытой тонким диэлектрическим слоем, площадь рабочей поверхности первого электрода максимально соразмерна с площадью решетки второго электрода, а диэлектрический элемент ...

СИСТЕМА И СПОСОБ ПОЛУЧЕНИЯ МАССИВОВ БИОЛОГИЧЕСКИХИЛИ ДРУГИХ МОЛЕКУЛ

... 1. Способ разделения частиц из смеси частиц материала и сбора этих индивидуальных частиц, предусматривающий стадии превращения этой смеси в ионы газовой фазы для каждой частицы данной смеси, разделения частиц этой смеси на основе отношения масса/заряд или подвижности этих заряженных частиц и сбора мягким осаждением каждой из разделенных частиц в различных местоположениях на подложке. 2. Способ по п.1, в котором частицы выбраны из группы, состоящей из молекул, кластеров молекул и атомов. 3. Способ по п.1, в котором частицы собирают в виде заряженных частиц. 4. Способ по п.2, в котором частицы собирают в виде нейтральных частиц. 5. Способ по пп.3 или 4, в котором частицы собирают при сохранении их биоактивности. 6. Способ по пп.3 или 4, в котором частицы собирают без сохранения их биоактивности. 7. Способ по пп.1 или 2, в котором частицы собирают на поверхности подложки в виде массива дискретных пятен. 8. Способ по пп.1 или 2, в котором частицы собирают в виде непрерывной линии. 9. Способ ...

СПЕКТРОМЕТРЫ ПОДВИЖНОСТИ ИОНОВ

... 1. Спектрометр подвижности ионов, имеющий дрейфовую область (20) и реакционную область (5), отличающийся тем, что он выполнен с возможностью легировать реакционную область (5) реакции без легирования дрейфовой области (20) и содержит по меньшей мере два работающих выборочно модификатора (30 и 31) ионов, расположенных один за другим вдоль траектории ионов так, что по меньшей мере один из них при работе удаляет из ионов аддукты легирования. ! 2. Спектрометр по п.1, отличающийся тем, что по меньшей мере один из модификаторов (30, 31) ионов выполнен с возможностью создания электрического поля, достаточно сильного для фрагментации ионов. ! 3. Спектрометр по п.1, отличающийся тем, что по меньшей мере один из модификаторов ионов выполнен с возможностью повышения температуры до уровня, достаточного для фрагментации ионов. ! 4. Спектрометр по любому из пп.1-3, отличающийся тем, что включает канал (32) для протекания отфильтрованного газа через дрейфовую область (20) для удаления из нее любого легирующего ...

МНОГОЭЛЕКТРОДНАЯ ГАРМОНИЗИРОВАННАЯ ЛОВУШКА КИНГДОНА С МНОГОПОРТОВЫМ ВВОДОМ ЭЛЕКТРОНОВ И ИОНОВ

Изобретение относится к области масс-спектрометрии. Технический результат - возможносить работать с двумя независимыми источниками электронов, что повышает надежность прибора и увеличивает время работы без замены катода, а также возможность ввода ионов в ловушку в нескольких направлениях. Масс-спектрометр на основе многоэлектродной гармонизированной ловушки Кингдона, реализованной с возможностью многопортового ввода электронов для ионизации молекул газа внутри ловушки и ионов, создаваемых в ионных источниках вне ловушки, где каждый порт может использоваться независимо друг от друга, состоит из двух внешних и четырех внутренних электродов, которые расположены симметрично, выполненных с возможностью возбуждения периодического движения ионов в ловушке вдоль оси симметрии и детектирования сигнала, наводимого осциллирующими в квадратичном потенциале внутри ловушки ионами. На внутренние электроды подан потенциал, создающий вне этих электродов электрическое поле, величина потенциала которого квадратично ...

УСТРОЙСТВО ТРАНСПОРТА ИОНОВ

Изобретение относится к радиочастотным устройствам для транспортировки, фокусировки и удержания ионов, которые используются в приложениях масс спектрометрии и спектрометрии ионной подвижности. Устройство транспорта ионов содержит канал переноса ионов, имеющий входной и выходной концы, ограниченный поверхностями, на которых расположены радиочастотные и/или DC электроды, создающие поле бегущей волны, направляющее ионы к выходному концу канала. Причем в выходной части устройства расположены электроды, обеспечивающие функцию фрагментации или термолизации ионов, отличающиеся от других электродов, расположенных на остальной части устройства, режимом питания и/или геометрией. Техническим результатом является высокая эффективность транспорта ионов в следующую камеру с отличающимся давлением при обеспечении высокой чувствительности прибора на коротких временах накопления данных, снижении газовой нагрузки на насосы в последующих ступенях, а также предотвращение размытия ионных пакетов при их транспорте ...

СПОСОБ ФОРМИРОВАНИЯ ДВУМЕРНОГО ЛИНЕЙНОГО ЭЛЕКТРИЧЕСКОГО ПОЛЯ И УСТРОЙСТВО ДЛЯ ЕГО ОСУЩЕСТВЛЕНИЯ

... 1. Способ формирования двумерного линейного электрического поля, заключающийся в создании по границам рабочей области поля поверхностей, параллельных оси z, с заданным распределением потенциала на них по координатам х и у, отличающийся тем, что в качестве граничных используют плоские, параллельные осям х или у поверхности с линейным распределением потенциала на них по координатам х или у. 2. Устройство для формирования переменного двумерного линейного электрического поля, содержащее параллельные оси z электроды с приложенными к ним переменным напряжением, отличающееся тем, что используют плоские, параллельные осям х и у и отстоящие от оси z на расстояния y0 и x0 электроды с дискретным линейным по координатам х и у распределением потенциала на них, причем плоские электроды выполняют или в виде набора расположенных на расстоянии d друг от друга тонких металлических пластин, или в виде плоской части витков однослойной, равномерной с шагом d намотки катушки индуктивности.

СПОСОБ ГЕНЕРАЦИИ ВЫСОКОПЛОТНЫХ ВСТРЕЧНЫХ ПОТОКОВ ЗАРЯЖЕНЫХ ЧАСТИЦ И УСТРОЙСТВО ДЛЯ ЕГО РЕАЛИЗАЦИИ

СПОСОБ РАЗДЕЛЕНИЯ ИОНОВ ОРГАНИЧЕСКИХ И БИООРГАНИЧЕСКИХ СОЕДИНЕНИЙ В СВЕРХЗВУКОВОМ ГАЗОВОМ ПОТОКЕ, ПРЕДВАРИТЕЛЬНОЙ РЕГИСТРАЦИИ И ТРАСПОРТИРОВКИ ЭТИХ ИОНОВ В ПОСЛЕДУЮЩИЙ МАСС-АНАЛИЗАТОР

... 1. Способ структурно-химического анализа органических и биоорганических соединений и ионов этих соединений на основе комбинации воздействий на эти соединения, их ионы, атомы или/и молекулы буферного газа изменяемого тока электронов с выбранной энергией в источнике электронной ионизации, электрических полей в линейной радиочастотной ловушке и узко направленного потока буферного газа, отличающийся тем, что для повышения эффективности разделения упомянутых анализируемых соединений или ионов подбором постоянных и переменных электрических полей внутри упомянутой ловушки с учетом возможного влияния ионов буферного газа, сфокусированных вокруг оси упомянутой ловушки, упомянутые анализируемые ионы движутся вдоль упомянутой оси с различными скоростями, имея поэтому разные времена контакта с метастабильно-возбужденными частицами буферного газа в упомянутом потоке, если они там присутствуют, и/или образуются из анализируемых соединений за счет пререзарядки на ионах буферного газа, линейная плотность ...

ИСТОЧНИК ИОНОВ ДЛЯ МАСС-СПЕКТРОМЕТРА (ВАРИАНТЫ)

... 1. Источник ионов для масс-спектрометра, включающий камеру, в первом торце камеры выполнено отверстие, в котором размещено устройство электрораспыления пробы, в боковой стенке камеры у первого торца установлена по касательной к боковой стенке по меньшей мере одна трубка для подачи в камеру нагретого сжатого газа, во втором торце камеры установлен первый электрод с центральным отверстием для выхода ионов, окруженный вторым электродом с отверстием в центральной области, образующим с первым электродом электростатическую фокусирующую линзу для ионов, при этом в боковой стенке камеры выполнено по меньшей мере одно отверстие для выхода газа и неиспарившихся капель пробы, отстоящее от второго торца на расстояние d, удовлетворяющее соотношению0,1D Подробнее

ФИЛЬТР ДЛЯ УЛАВЛИВАНИЯ ЗАГРЯЗНЯЮЩИХ ВЫБРОСОВ

... 1. Система фильтрования текучей среды, которая может быть использована для разделения различных веществ, образующих указанную текучую среду, отличающаяся приложением однородного электрического поля с целью создания эффекта Штарка и одновременным приложением электрического поля, осциллирующего в резонансе с разделением энергетических уровней, вызванным эффектом Штарка. ! 2. Система фильтрования текучей среды, которая может быть использована для разделения различных веществ, образующих указанную текучую среду, по п.1, отличающаяся тем, что осциллирующее электрическое поле и однородное электрическое поле перпендикулярны друг другу. ! 3. Система фильтрования текучей среды, которая может быть использована для разделения различных веществ, образующих указанную текучую среду, по п.1, отличающаяся тем, что однородное электрическое поле заменено на неоднородное электрическое поле, имеющее градиент, такой что резонанс различных веществ достигается стабилизацией осциллирующего электрического поля.

УСТРОЙСТВО ОПРЕДЕЛЕНИЯ СДВИГА ФАЗ МЕЖДУ ТОКОМ, НАПРЯЖЕНИЕМ И МАГНИТНЫМ ПОЛЕМ ГЕНЕРАТОРА ПЕРЕМЕННОГО ТОКА

Устройство определения сдвига фаз между током, напряжением и магнитным полем генератора переменного тока и магнитным полем индуктора в полюсе обмотки якоря генератора, содержащее датчик в виде фазной обмотки якоря генератора и измеритель фазы, соединенный с фазной обмоткой якоря, отличающееся тем, что дополнительно содержит диск с отверстиями, источник света и приемник света, причем диск жестко соединен с индуктором генератора с известным углом между отверстиями диска и магнитными полюсами индуктора генератора, а источник и приемник света жестко соединены со статором генератора и расположены по обе стороны диска напротив друг друга на уровне отверстий диска.

МАСС-СПЕКТРОМЕТР И СООТВЕТСТВУЮЩИЕ ИОНИЗАТОР И СПОСОБЫ

... 1. Масс-спектрометр, в котором первый, в общем, планарный электрод, второй, в общем, планарный электрод, расположенный, в общем, параллельно указанному первому электроду и отстоящий от указанного первого электрода, причем указанные первый и второй электроды предназначены для создания между ними электрического поля, генератор магнитного поля, предназначенный для создания магнитного поля, ориентированного, в общем, перпендикулярно указанному электрическому полю, при этом каждый указанный первый электрод и второй электрод имеет основание и стенки, выступающие, в общем, в направлении друг к другу для взаимодействия при ограничении камеры, генерирующей ионы, ионный выход, разрешающий определенным ионам выходить из указанной камеры, и ионный коллектор, расположенный снаружи и смежно указанному ионному выходу для приема указанных ионов, проходящих через него. 2. Масс-спектрометр по п.1, в котором указанные стенки каждого указанного первого электрода и указанного второго электрода имеют пару, в ...

Способ совместной юстировки электронной и ионной пушек в оже-спетрометрах

Изобретение относится к способам юс- тиоовки спектрометров, в частности к способам юстировки, электронной и ионной пушек, и может найти применение в оже-спектрометрах или для установок молекулярно-лучевой. эпитаксии Целью изобретения является упрощение процесса юстировки и повышение точности измерения концентрационных профилей за счет увеличения точности совмещения электронного и ионного пучков Для этого на подложку 1 наносят слой 2 полиметилметакрилата, в котором после экспонирования формируют рельефный слой 3 после травления в растворе метилэтиленкетона и изопропанола. Затем наносят слой сцинтиллирующего порошка окиси цинка, удаляют слой полимети- лакрилата и совмещают светящееся пятно от электронной пушки с центром рельефного следа. Такая последовательность операций по юстировке позволяет упростить ее процесс, значительно повысить точность 1 з.п.ф-лы, 4 ил. СО ...

Мессбауэровский спектрометр режима постоянных скоростей

Устройство для стабилизации спектрометра по электрическому сигналу

DEVICE FOR FORMING SPECTROMETRIC PULSE

Угловой спектрометр заряженных частиц

УГЛОВОЙ СПЕКТРОМЕТР ЗАРЯЖЁН НЫХ ЧАСТИЦ малой энергии, содержащий электростатический анализатор с коак сиально расположенными наружным и внутренним отклоняющими элементами, причем наружный элемент состоит по крайней мере из двух изолированных электродов, усилитель-формирователь, счетчик ит шульсов, источник питания электростатического анализатора с коммутатором напряжения питания, с каждым выходом которого соединен один из электродов внешнего элемента и источник .питания детектора, о тл ич ающ и и с я тем, что, с целью УПРО1ЦЙНИЯ устройства, в нем отклоняющие элементы выполнены цилиндрической формы, причем во внутреннем цилиндре на участках пересечения траектории пучка заряженных частиц с этим цилиндром напротив внешних электродов выполнены две кольцевые прорези с числом сегментов, равным числу изолированных электродов, и шириной, равной ширине указанного пучка в местах пересечения его с внутренним цилиндром, внутренний цилиндр соединен с корпусом спектрометра , а на торцах этого цилиндра ...

Устройство для формирования спектрометрического импульса

УСТРОЙСТВО ДЛЯ ФОРМИРОВАНИЯ СПЕКТРОМЕТРИЧЕСКОГО ИМПУЛЬСА по авТо сво № 272445,,о тличающее с я тем, что, с целью повышения точности в условиях непостоянства дозы облучения и температуры окружающей среды, в него введены последовательно соединенные элемент задержки , дополнительный электронный ключ, интегратор и генератор тока, причем вход элемента задержки и выход генератора тока подключены к аноду фотоэлектронного умножителя, а управляющий вход дополнительного электронного ключа соединен с вторым выходом блока управления , ...

Massenspektrometrie von Lösungen und Vorrichtung dafür

Verfahren der gezielten massenspektrometrischen Analyse

Es wird ein Verfahren zur gezielten massenspektrometrischen Analyse zwecks Analyse von Spurenverbindungen auf der sub-ppb-Ebene im Vergleich zur Probenmatrix bereitgestellt. Die Probe wird chromatographisch unter Standardbedingungen getrennt, um eine Karte der Zielmasse (M) gegen die Retentionszeit (RT) zu verwenden, Ionen mit kleiner Masse unter M(RT) werden durch das RF-Feld verworfen und die verbleibenden Ionen werden für die gepulste Injektion in einem Multi-Reflexions-TOF-MS, entweder direkt von der EI-Quelle oder aus der linearen RF-Falle oder über einen beheizten RF-Quadrupol mit der axialen Ionenfalle akkumuliert. In Kombination mit der EI-Quelle liefert das Verfahren die Empfindlichkeit im Teil-Femtogramm bei Matrizenladungen im Mikrogrammbereich.

Theoretischer Stossquerschnitt ("CCS") beim Experimententwurf

Es wird ein Verfahren zur Massenspektrometrie offenbart, welches Folgendes umfasst: Berechnen eines Ionenbeweglichkeitswerts, Stoßquerschnitts oder Wechselwirkungsquerschnitts einer Anzahl verschiedener Analytionen unter einer oder mehreren verschiedenen analytischen Bedingungen und Festlegen eines oder mehrerer Betriebsparameter eines Massenspektrometers als Antwort auf auf die berechneten Ionenbeweglichkeitswerte, Stoßquerschnitte oder Wechselwirkungsquerschnitte, um eine nachfolgende Ionenbeweglichkeitstrennung einer Anzahl verschiedener Analytionen zu maximieren oder zu verbessern.

Tandem Flugzeitmassenspektrometer mit ungleichmässiger Probennahme

Verfahren zur Tandem Flugzeit-Massenspektrometrie-Analyse, wobei das Verfahren umfasst:Extrahieren einer Vielzahl von Stammionenspezies mit verschiedenen m / z-Werten aus einer gepulsten Ionenquelle (15) oder einem gepulsten Konverter,die/der durch einen Zyklus von Quellenpulsen getriggert wird;zeitliches Trennen der Stammionen nach m / z-Wert innerhalb eines mehrfachreflektierenden elektrostatischen Feldes mit isochroner und räumlicher Fokussierung;Auswählen und Probenehmen von einer oder mehreren Stammionenspezies durch ein elektrisches Impulsfeld mit einem Zeittor (16), das relativ zu dem Zyklus von Quellenpulsen verzögert ist;Fragmentieren der durch das Zeittor (16) durchgelassenen Stammionen durch Kollisionen mit einem Gas und/oder einer Oberfläche;Extrahieren von Fragmentionen durch das mehrfach reflektierende elektrische Feld mit einer Verzögerung relativ zu dem Zeittor (16);zeitliches Trennen der Fragmentionen innerhalb des mehrfach-reflektierenden elektrostatischen Feldes; undAufzeichnen ...

Analysis of multiple ionising emissions - by double 90 degree sector condenser constraining single focussed beam to detectors

Rapid sequential anlysis of varying forms of radiation emission is by means of a double 90 degrees sector condenser incorporating polarity reversal facilities and constraining the particles to focus onto an articulated probe which deflects the incident beam to detector analysers. The system is also applicable to the concn. of multiple sources of irradiation on a single focus using a sector condenser assembly with a rotational capability. Process is for (1) detection and analysis of surface radiation emission; and (2) radiation implantation. The process is accurate, rapid and economical in respect of the plant required.

ESI/APCI-Ionenquelle und Verfahren zur Erzeugung von Ionen

Elektrospray-Ionisations-/Atmosphärendruck-chemische-Ionisations-Ionenquelle (”ESI/APCI”) mit: – einem Nebulisierfühler (13), der einen Elektrospray-Nebulisierer (10) und ein erwärmtes Rohr (3) zum Erwärmen einer von dem Elektrospray-Nebulisierer (10) versprühten, Analytmoleküle enthaltenden flüssigen Probe aufweist, um die Probe in einen Gaszustand umzuwandeln, – einer in der Region des Ausgangs des erwärmten Rohres (3) angeordneten Reaktionskammer (2), – einer von der Reaktionskammer (2) separierten Coronaentladungskammer (1), in welcher eine Coronaentladungsvorrichtung (5) zur Erzeugung von Reagenzionen angeordnet ist, – wobei der Nebulisierfühler (13) eingerichtet ist, Analytmoleküle relativ hoher Polarität durch Elektrospray-Ionisation zu ionisieren, wobei so entstehende Analytionen in die Reaktionskammer (2) eintreten und, unter Bypassen der Coronaentladungskammer (1), die Reaktionskammer (2) über einen Ausgangsdurchgang (11) wieder verlassen, – und wobei die Reaktionskammer (2) so ...

Ion Detection

Parallel mass analysis

Method and apparatus for reacting ions

Improved time of flight quantitation using alternative characteristic ions

A method of mass spectrometry is disclosed in which the intensity of an analyte is determined by determining the intensity of first characteristic ions when the intensity of the first characteristic ions is within a first intensity range corresponding to the detection or unsaturated range of an ion detector. When the intensity of the first characteristic ions is outside of the first intensity range so that the ion detector would saturate then the intensity of the analyte is determined by determining the intensity of second different characteristic ions. The first and second characteristic ions preferably comprise one or more isotopes of the analyte, with one or more isotope ratios being determined in order to confirm the identity of said analyte.

A method and apparatus for tuning mass spectrometers

Mass spectrometer

Mass spectrometer, comprising an ion source; a mass filter 50, arranged to receive ions from the ion source, the mass filter selects ions of a range of mass-to-charge ratios and transmits the selected ions; a reaction cell 60, receives ions from the mass filter and reacts the received ions with a gas and provides product ions; a mass analyser 80, receives the product ions from the reaction cell and analyses the received ions within one or more analysis ranges of mass-to-charge ratios and provides at least one output based on detection of the analysed ions; the spectrometer further comprises a controller which provides a first output from the mass analyser measuring ions within a first analysis range of mass-to-charge ratios including a desired mass-to-charge ratio and provide ...

Method and device for the mass-spectrometric analysis of gases

Mass scale alignment of time-of-flight mass spectra

Mass spectrometer

Analytical apparatuses and methods

Spectroscopic analyser for surface analysis and method therefor

A spectroscopic analyser and method of use, for surface analysis spectroscopy, are disclosed. The spectroscopic analyser 10 has a time-of-flight (TOF) spectrometer which analyses secondary electrons emitted from a surface of a sample 30 on excitation by an irradiation source 40 e.g. X-ray or primary electron source. The TOF spectrometer includes a gate 50, which receives and selectively passes a proportion of the secondary electrons by pulsed deflection or retardation of the electron beam using gating members 55. In that manner one or more pulses of electrons enter a magnetic field-free flight tube 90 and reach a detector 120 downstream of the gate 50. The flight times, and therefore energies, of the detected electrons through the flight tube 90 are thereby detected. A curved electron mirror 100 (100, Fig. 3) may be used to increase the flight path of the pulsed electrons in the flight tube 90, thereby increasing the spread of each electron pulse within the analyser 10.

Mass spectrometer

Method of ion mobility separation and determining multiple molecular conformations

A method of ion mobility separation is disclosed wherein ions having multiple molecular conformations may be recognised. Ions are separated temporally by an ion mobility spectrometer. The arrival time distributions of ions which are temporally separated by the ion mobility spectrometer are analysed. Ion peaks having particular ion arrival time profiles may be flagged as possibly relating to two different unresolved ion species having essentially the same mass to charge ratio but different molecular conformations. The experiment is then re-run and ions of interest are again subjected to separation in an ion mobility spectrometer. Ions which emerge from the ion mobility spectrometer are fragmented in a downstream collision cell and the arrival time profiles of the resulting fragment ions are then analysed. If two or more substantially different arrival time distributions are observed for the fragment ions then the parent ions of interest are considered as comprising ions having two different ...

Ion mobility spectrometer

A travelling wave ion tunnel reaction/fragmentation cell

An electron transfer dissociation (ETD) and/ or proton transfer reaction (PTR) device is provided comprising a ring stack ion guide 2 formed from a plurality of apertured electrodes 1. One or more transient DC voltage waves or waveforms, preferably two opposed DC voltage waves or waveforms 8 and 9, are applied to the electrodes 2. Reagent anions and/or analyte cations are arranged to be conveyed by the DC voltage waveforms into a reaction region 5 in which they interact with each other or undergo ion-neutral reactions with a neutral reaction gas. The resulting fragment ions which are formed within the reaction cell are then subsequently translated out of the reaction cell by means of one or more transient DC voltage waves 8 and 9.

Space charge control in a tandem ion trapping arrangement

A mass spectrometer is disclosed comprising a first high capacity storage ion trap 2 arranged upstream of a high performance analytical ion trap 3. According to an embodiment ions are simultaneously scanned from both the first and second ion trap 2 and 3. At any instant in time the quantity of charge present within the second ion trap 3 is limited or restricted so that the second ion trap 3 does not suffer from space charge saturation effects and hence the performance of the second ion trap 3 is not degraded. Preferably ions are mass selectively ejected from both the first and second ion traps. Alternatively, ions may be attenuated as they are being transmitted from the first ion trap 2 to the second ion trap 3.

Mass spectrometer

Measuring cell for ion cyclotron resonance spectrom

This invention relates to a measuring cell for an Ion Cyclotron Resonance (ICR) spectrometer. The present invention provides a measurement cell for an FTMS spectrometer, comprising an excitation electrode arrangement positioned about a longitudinal axis which extends in a direction generally parallel to the field direction of an applied homogeneous magnetic field; and a trapping electrode arrangement, also positioned about the said longitudinal axis, for trapping ions longitudinally in the cell within a trapping region defined by the trapping electrode arrangement; wherein at least a part of the excitation electrode arrangement extends axially outwardly of the trapping region defined by the trapping electrode arrangement.

Evaluation of spectra in oscillation mass spectrometers

Microengineered multipole ion guide

System and method to eliminate radio frequency coupling between components in mass spectrometers field

MS/MS analysis using ECD or ETD fragmentation

A method of mass spectrometry is disclosed comprising providing a mixture of different analyte ions and supplying electrons or reagent ions to said mixture so as to transfer charge to the analyte ions. The transfer of charge causes at least some of the analyte ions to dissociate and others of the analyte ions not to dissociate, but to form intermediate ions of altered charge state. These intermediate ions are then isolated from other ions and excited so as to dissociate into daughter ions. The intermediate ions and their daughter ions are analysed and associated with each other so that the intermediate can be identified from their daughter ions. The analyte ions can then be identified from the intermediate ions, since they differ only in charge state. The disclosed method enables analyte ions to be associated with their fragment ions, and therefore identified, without having to isolate individual analyte ions prior to their interactions with the electrons or reagent ions.

Method and apparatus for mass analysis

Method and system for increasing useful dynamic range of spectrometry device

Storage ring for fast processes

Acquisition of fragment ion mass spectra of biopolymers in mixtures

Unknown identification using theroretical collision cross section

Encoding of precursor ion beam to aid product ion assignment

Method of determining the structure of a macromolecular assembly

Detection system for time of flight mass spectrometry

A detector for time-of-flight mass spectrometry comprises an amplification arrangement (30, 50) for receiving ions and converting them into secondary particles and a gate 70 located upstream of at least a part of the amplification arrangement to attenuate the ions or secondary particles. The start and end of the gating pulse are determined from a previous spectrum, e.g. acquired using the same amplification arrangement in a survey scan. Preferably, the amplification arrangement comprises a first amplification stage 30 and a second amplification stage 50, wherein the gain of the first amplification stage is such that it is kept below saturation, and the gate is located between the first and second amplification stages. The amplification arrangement may comprise a microchannel plate, a dynode secondary electron multiplier, a scintillator or a photomultiplier. The gating pulse may be applied between the start and end of each identified intense peak from the survey scan.

Electron capture dissociation in linear RF ion traps

The invention relates to the fragmentation of macromolecules in linear RF ion traps (LIT) through the process of electron capture disscoiation (ECD). The ion trap comprises a multipole, preferably quadrupole rod set 1-4, with ion repelling end electrodes, but alternatively may comprise an ion tunnel or helical ion trap. Low energy electrons generated by a thermionic filament 10 may be injected through an opening 8 in one of the pole rods 2, the electron source being kept at the highest positive potential which is achieved on the centre axis of the ion trap during the RF cycle. Alternatively, electrons may be injected through the gap between adjacent rods (see figure 5). Pulse-shaping of the RF voltages applied to the electrodes (see figures 2 and 6) offers longer periods of electron capture. The low energy electrons may also be guided by a magnetic field (see figures 7 and 8).

Method of charge reduction of electron transfer dissociation product ions

Method of single point internal lock-mobility correction

Photo-dissociation of proteins and peptides in a mass spectrometer

A method of mass spectrometry is disclosed comprising directing first photons from a laser onto ions located within a 2D or linear ion guide or ion trap. The frequency of the first photons is scanned and first photons and/or second photons emitted by the ions are detected. The ions are then mass analyzed using a time of flight mass analyser. Alternatively, ions are illuminated with a broadband illumination source and photons transmitted by an optical filter are then detected, a transmission property of optical filter being varied. Also disclosed is: a conjoined ion guide (see Figs 4 & 5) defining two ion guiding paths separated by a pseudo-potential barrier, a laser being directed along the axial length of at least one of the ion guiding paths; and an ion guide provided with mirrors at each end so as to form an optically resonant cavity along its longitudinal axis (see Figs 5-7).

Mass spectrometers comprising accelerator devices

Methods of mass spectrometry are disclosed comprising providing a flight region along which a potential profile is maintained such that ions travel therethrough towards, for example, a detector or fragmentation device. The potential of a first length L3 of the flight region is then changed from a first potential V3 to a second potential V6 whilst at least some ions are travelling therein. The changed potential provides a first potential difference X through which the ions are accelerated when they exit the length L3 of the flight region. This increases the kinetic energy of the ions prior to them reaching the detector or fragmentation cell. The potentials of the first and further lengths of the flight region, and said potential differences created at the exits thereof, may be changed through the application of RF (see Figs 3 & 4) and/or DC voltages to electrodes forming the flight region.

Excitation of reagent molecules within a RF confined ion guide or ion trap to perform ion molecule, ion radical or ion-ion interaction experiments

A mass spectrometer is disclosed comprising: at least one RF ion guide or ion trap 2, 4, 5 & 6; a device 9 arranged to supply a reagent gas within the at least one RF ion guide/trap; and at least one photo-ionization device 8, such as a VUV lamp, to photo-ionise and/or photo-excite the reagent gas to form reagent ions, excited species or radical species. The reagent ions, excited species or radical species may be used to fragment analyte ions within the RF ion trap/guide, or to reduce the charge state of said analyte ions. Alternatively, the reagent ions, excited species or radical species interact with, and thereby ionize, at least some neutral molecules within the RF ion trap/guide, said neutral molecules being the product of a prior fragmentation process within the ion guide/trap.

Method and system for tandem mass spectrometry

A method of data independent MS-MS analysis is disclosed. The method comprises ramping or stepping in small steps of a wide (at least lOamu) parent mass window in a first parent selecting mass spectrometer (MSI), arranging rapid ion transfer through a collisional cell, either by axial gas flow or by an axial DC field or by a travelling RF wave, frequently pulsing an orthogonal accelerator with a string of time-encoded pulses, analyzing fragment ions in a multi- reflecting time-flight mass spectrometer, acquiring data in a data logging format, and decoding signal strings corresponding to the entire scan of parent masses, such that fragment spectra are formed based on time correlation between fragment and parent masses. Frequent pulsing is expected to recover parent and fragment time correlation with an accuracy of approximately ITh, in spite of using much wider mass window in the first MS.

Ion modification

An ion mobility spectrometer comprises a sample inlet 108 with an aperture to allow a sample of gaseous fluid to flow from an ambient pressure region to a low pressure region 103 to be ionised. A controller 200 controls gas pressure in the low pressure ionisation region to be lower than ambient pressure. An ion modifier modifies ions in the low pressure ionisation region. The ion modifier may comprise two electrodes (126, 127) spaced apart wherein the electrodes each comprise a grid of conductors. The ion modifier electrodes may modify ions by subjecting ions to an alternating RF electric field. The ion modifier may fragment parent ions into daughter ions by causing ions to experience a collision with high enough energy for a bond to break.

Method and apparatus for the analysis of molecules using mass spectrometry and optical spectroscopy

Improvements in and relating to quadrupole mass spectrometers

Dynamic range improvement for isotope ratio mass spectrometry

Method of mass spectral data analysis

A method of analysing mass spectrometer data to determine the presence of one or more sample compounds comprises receiving mass spectrometer data comprising shared data and unique data. The share data are associated with each one of a plurality of candidates for one or more sample compounds, and each of the unique data is associated with only one respective candidate from the plurality of candidates. The plurality of candidates is determined from the mass spectrometer data, and a convolution tree is formed based on the plurality of candidates. The unique data and the shared data are used with the convolution tree to calculate a respective candidate probability for each of the plurality of candidates. The invention, which may be applied to proteomics, may reduce the computation time for posterior probabilities by using a tree-shaped Bayesian network wherein the probabilities are calculated for each of the nodes by considering the shared and unique data in separate nodes.

Correction of time of flight MS ADC data on push by push basis

Ion mobility separator for mass spectrometers

The invention relates to the selection and separation of ions with predetermined ion mobilities, preferably for mass spectrometric analysis. The invention provides devices and methods for these separations, either by the collection and temporal storage of many ions with predetermined mobility, or by filtering the ions according to their mobility, thus producing a constant beam of ions with predetermined ion mobilities. The invention is based on at least two consecutive ion mobility high pass and/or low pass filters, formed each by the action of a moving gas with its friction force and a counter-directed DC electric field on the ions. An ion mobility high pass filter can be formed by a DC electric force field driving in the ions from an ion source against a flow of gas, whereas an ion mobility low pass filter may be formed by a flow of gas driving entrained ions from an ion source against a DC electric field barrier.

Controlling ion temperature in an ion guide

Impact ionisation ion source

An ion source is provided comprising: a nebuliser or electrospray probe 1; and an impact surface or target electrode 5 comprising a tarnishable or oxidisable metal, e.g. gallium, tin, lead, bismuth, copper, aluminium, germanium, antimony, zinc, cadmium, magnesium, silver, titanium, tantalum or tungsten, but most preferably indium, or an alloy comprising a tarnishable or oxidizable metal. The ion source is effective at displacing common salt adducts and/or forming multiply adducted ions, enabling biomolecules such as monoclonal antibodies and insulin to be readily analysed. Also disclosed is: a central wire electrospray ionization (CWESI) ion source in which the central wire comprises a tarnishable or oxidisable metal; a method of ionizing a sample comprising adding a post-transition metal salt to said sample prior to nebulisation; and a method of performing electron transfer dissociation (ETD) using gallium, indium, tin, lead, bismuth, copper, aluminium, germanium, antimony, zinc, cadmium ...

Ion filtered devices

A method of filtering ions according to a physicochemical property such as ion mobility comprises: generating a plurality of local separation regions within a device, within which ions can be separated according to said property; and moving each local separation region axially along the device with a certain velocity such that, for each separation region, ions having a value of the physicochemical property falling within a selected range are transmitted axially along with that separation region whereas ions having values of the physicochemical property falling outside that range escape the local separation region; wherein any ions that escape the local separation regions are removed from within the device and/or otherwise kept apart from those ions falling within the selected range. Preferably, each local separation region comprises a DC voltage gradient. Different separation regions may also be arranged to filter different ranges of the physicochemical property.

A method for controlling the mass filter in a hybrid IMS/MS system

A method for acquiring as many fragment mass spectra of selected substances, e.g. proteins, of complex mixtures as possible using a hybrid mass spectrometric system which comprises an ion source, an ion mobility separator, a mass filter, a fragmentation cell, and a mass analyzer. The fragment mass spectra are used for identifying the substances by their fragment mass spectra. The method controls the dwell time of the mass filter and adapts the dwell time to the length of the ion mobility signal in a mass-mobility map.

Ion trap for cooling ions

Method of mass selecting ions and mass selector

Reactants for charge transfer reactions in mass spectrometers

Forward and reverse scanning for a beam instrument

Method for measurement of ion events

Intelligent dynamic range enhancement

A method of mass spectrometry comprises automatically determining during an acquisition whether a first mass spectral data suffers from saturation or is approaching saturation. If this is true, the intensity of ions detected by a detector is automatically changed, for example by altering a transmission efficiency of a device or an ionisation efficiency of an ion source. A second mass spectral data is then obtained and one or more portions of the first mass spectral data is substituted with one or more corresponding portions of the second mass spectral data multiplied or scaled by an attenuation or scale factor and/or by another value. This forms a composite or combined mass spectrum comprising ion peaks from the first mass spectral data as well as the second mass spectral data. The invention provides an improved in-spectrum dynamic range and improves the duty cycle by only acquiring lower intensity data when saturation is present.

Apparatus and method

MS/MS analysis using ECD or ETD fragmentation

Methods of mass spectrometry are disclosed comprising: providing supercharged analyte ions 20, preferably generated by a liquid AP-MALDI ion source; and supplying electrons or reagent ions to said analyte ions 20 so as to transfer charge from said reagent ions or electrons to said analyte ions 20, said transfer of charge causing at least some of said analyte ions to dissociate, the charge transfer step being performed at a relatively high pressure, e.g. > 0.1 mbar, and preferably at substantially at atmospheric pressure. At least some of the analyte ions may not dissociate but instead form intermediate ECnoD or ETnoD ions of an altered charge state. In this case, said intermediate ions may be isolated and excited so as to cause them to dissociate into daughter ions.

Targeted analysis for tandem mass spectrometry

A tandem mass spectrometer and method are described. Precursor ions are generated in an ion source (10) and an ion injector (21, 23) injects ions towards a downstream ion guide (50, 60) via a single or multi reflection TOF device (30) that separates ions into packets in accordance with their m/z. A single pass ion page (40) in the path of the precursor ions between the ion injector (21, 23) and the ion guide (50, 60) is controlled so that (only a subset of precursor ion packets, containing precursor ions of interest, is allowed onward transmission to the ion guide (50, 60). A high resolution mass spectrometer (70) is provided for analysis of those ions, or their fragments, which have been allowed passage through the ion gate (40). The technique permits multiple m/z ranges to be selected from a wise mass range of precursors, with optional fragmentation of one or more of the chosen ion species.

Method of charge state selection

Method and apparatus for mass spectrometry of macromolecular complexes

A method of analysing macromolecular complex ions by mass spectrometry comprises introducing macromolecular complex ions into a first fragmentation device 2, for example a stacked ring ion guide or ion trap (preferably 10-2 to 10-1 mbar), and trapping the complex ions for a trapping period (preferably at least 2 ms). The trapped complex ions are fragmented in the first fragmentation device (preferably at 100 to 300V energy) to produce monomer subunit ions. One or more species of the subunit ions are introduced into a second fragmentation device 6 and fragmented to produce a plurality of fragment ions of the subunit ions. The fragment ions are mass analysed or subjected to further steps of fragmentation before mass analysis. The second fragmentation device may be an ion trap having a higher pressure section for ion fragmentation and a lower pressure section for ion accumulation. The macromolecular complex ions may be protein complexes, DNA-protein complexes, RNA-protein complexes, antibody-drug ...

Elemental analysis of organic samples

Method of generating electron transfer dissociation reagent ions

A method of mass spectrometry is disclosed wherein first ions are subjected to an electron detachment, electron capture or electron transfer process in order to form second ions having a different charge state. At least some of the second ions having a different charge state are then caused to interact with analyte ions so as to cause at least some of the analyte ions to fragment to form daughter, fragment or product ions, or so as to reduce the charge state of the analyte ions. The first ions are preferably multiply charged ions generated by electrospraying a reagent compound. The reagent may comprise a protein or a peptide. The second ions may be radical reagent ions. The electron detachment, capture or transfer processes utilized may include: electron photo detachment (EPD); electron detachment dissociation (EDD); electron capture dissociation (ECD); negative electron transfer dissociation (nETD); electron transfer dissociation (ETD); charge transfer dissociation (CTD); and metastable ...

A method of investigating the presence of a metabolic compound

Method of identifying precursor ions

Using theoretical collision cross section ("CCS") in sample identification

Ion mobility spectrometry data directed acquisition

Multi-dimensional ion separation

Mass spectrometer

A mass spectrometer 100 is described. A mass spectrometer comprises a set of chambers 110, 120 for receiving sample plate holders 1A therein and/or therethrough. The sample plate holders 10A are arranged to hold respective subsets of sample plates 1A therein and/or thereon and wherein the sample plate holders 10A include respective identifiers U1A. The set of chambers 110, 120 are fluidically coupled to and/or comprises an ion source 130, an analyser and an ion detector 150, for mass spectrometry of samples included on the sample plates received therein. A reader 160 configured to read the respective identifiers U1A and a controller is configured to control the reader to read the identifier of the sample plate holder received in the set of chambers.

Acquisition and Analysis of Mixed Ion Populations in a Mass Spectrometer

A method of obtaining and analyzing a mass spectrum of a sample comprising components is characterized by: setting values of a first energy level and a second energy level; chromatographically separating the components; ionizing a portion of the separated components to create precursor ions; introducing a first portion of the precursor ions into a collision or reaction cell and generating a first sub-population of ions corresponding to the first energy level; introducing a second portion of the precursor ions into the cell and generating a second sub-population of ions corresponding to the second energy level; transferring a mixture of the first and second sub-populations of ions into a mass analyzer; producing an analysis of the ions of the mixture; varying the value of at least one of the first and the second energy levels according to a pre-determined cyclical variation; repeating various above steps; and analyzing the time-variation of the analyses.

Apparatus and method for elemental analysis of particles by mass spectrometry

An apparatus for elemental analysis of particles such as single cells or single beads by mass spectrometry is described. The apparatus includes means for particle introduction; means to vaporize, atomize and ionize elements associated with a particle; means to separate the ions according to their mass-to-charge ratio; means to detect the separated ions, means to digitize the output of the means to detect the ions; means to transfer and/or to process and/or record the data output of the means to digitize, having means to detect the presence of a particle in a mass spectrometer; and means to synchronize one of the means for ion detection, data digitization, transfer, processing and recording with the means to detect the presence of a particle. Methods and computer readable code implementing aspects of the apparatus, and for reducing the rates of data generation, digitization, transfer, processing and recording are also described.

Method and Apparatus for Correlating Precursor and Product Ions in All-Ions Fragmentation Experiments

A method for matching precursor ions to product ions generated in a chromatography—mass spectrometry experiment comprises: choosing a time window defining a region of interest for precursor ion data and product ion data generated by the experiment; constructing a plurality of extracted ion chromatograms (XICs) for the precursor ion data and the product ion data within the region of interest; automatically detecting and characterizing chromatogram peaks within each XIC and automatically generating synthetic analytical fit peaks thereof; discarding a subset of the synthetic analytical peaks which do not satisfy noise reduction rules; performing a respective cross-correlation score calculation between each pair of synthetic analytical fit peaks; and recognizing matches between precursor ions and product ions based on the cross correlation scores.

Dynamic Range Improvement For Mass Spectrometry

Embodiments of the present disclosure provide methods of controlling an ion detector to minimize false peaks when utilizing extended dynamic range techniques. In one exemplary example, methods of controlling an ion detector are provided, comprising the steps of: determining an electronic baseline signal of the ion detector; receiving one or more ion input signals at the ion detector; comparing the ion input signal to the electronic baseline signal; and multiplying the ion input signal by a selected compensation factor when the ion input signal exceeds the electronic baseline signal.

Systems and methods for reducing noise from mass spectra

A plurality of scans of a sample are performed, producing a plurality of mass spectra. Neighboring mass spectra of the plurality of mass spectra are combined into a collection of mass spectra based on sample location, time, or mass. A background noise estimate is calculated for the collection of mass spectra. The collection of mass spectra is filtered using the background noise estimate, producing a filtered collection of one or more mass spectra. Quantitative or qualitative analysis is performed using the filtered collection of one or more mass spectra. The background noise estimate is calculated by dividing the collection of mass spectra into two or more windows, for example. For each window of the two or more windows, all spectra within each window are combined, producing a combined spectrum for each of the two or more windows. For each combined spectrum, a background noise is estimated.

METHODS AND SYSTEMS FOR ANALYSIS OF PEPTIDE SAMPLE STREAMS USING TANDEM MASS SPECTROSCOPY

The present disclosure relates to methods and systems for analyzing a peptide sample stream from a chromatography column using tandem mass spectroscopy. Analysis of the sample stream during a first time interval is performed in order to identify peptides, such as tryptic peptides, that are contained in the sample stream. Database searching is then performed to identify one or more protein sequences that contain the identified peptide sequence and to identify associated peptide sequences that are contained in the protein sequence that differ from the peptide sequence. The retention time of associated peptides is estimated based on the hydrophobicity of the predicted peptides and by spiking the sample with standard peptides. Information on associated peptides can then be used to configure the mass spectrometer during a second time interval to detect or ignore ions that correspond to the associated peptides. 1. A method of analyzing a sample using chromatography and tandem mass spectrometry , the method comprising:a) providing a sample comprising one or more sample peptides,b) adding one or more standard peptides to the sample to form a test sample, wherein an amino acid sequence and hydrophobicity index for each standard peptide is known,c) introducing the test sample into a chromatography column and eluting a test sample stream from the chromatography column into a tandem mass spectrometer,d) acquiring first time interval mass spectra and associated retention times for a plurality of peptides contained in the test sample stream during a first time interval, wherein the test sample stream during the first time interval comprises at least one standard peptide,e) comparing the first time interval mass spectra to a mass spectra reference database to form a set of identified sample peptide sequences based on sample peptides contained in the sample stream during the first time interval,f) for at least one identified sample peptide sequence, searching a protein sequence ...

Atmospheric Pressure Ionization Mass Spectrometer

In a first-stage intermediate vacuum chamber, cluster ions causing a background noise are dominantly formed in area (A), while fragment ions are dominantly generated in area (B). Taking this fact into account, in an in-source CID analysis mode, a DC voltage higher than that applied to a skimmer is applied to a first ion guide so as to create an accelerating electric field in area (B), whereby the ions are sufficiently energized to promote the fragmentation. When the in-source CID is not performed, a DC voltage higher than that applied to the first ion guide is applied to the exit end of a desolvation tube so as to create an accelerating electric field only in area (A) without creating such a field in area (B), whereby both the formation of the cluster ions and the generation of the fragment ions are suppressed, so that a high-quality chromatogram can be obtained. 1. An atmospheric pressure ionization mass spectrometer having a multi-stage differential pumping system including one or more intermediate vacuum chambers between an ionization chamber for generating ions under atmospheric pressure and an analysis chamber for mass-separating and detecting the ions under high vacuum , wherein:either a partition wall separating the ionization chamber and a neighboring first-stage intermediate vacuum chamber, or an exit end of an ion introduction part for making these two chambers communicate with each other, is used as a first electrode;either a partition wall separating the first-stage intermediate vacuum chamber and either a second-stage intermediate vacuum chamber or an analysis chamber in a next stage, or an entrance end of an ion transport part for making these two chambers communicate with each other, is used as a second electrode; andan ion transport electrode for creating an electric field for transporting the ions while converging them is provided in the first-stage intermediate vacuum chamber,and the atmospheric pressure ionization mass spectrometer further ...

Mass to Charge Ratio Selective Ejection from Ion Guide Having Supplemental RF Voltage Applied Thereto

An ion guide is disclosed wherein an axial DC voltage barrier is created at the exit of the ion guide. A primary RF voltage is applied to the electrodes in order to confine ions radially within the ion guide. A supplemental RF voltage is also applied to the electrodes. The supplemental RF voltage has a greater axial repeat length than that of the primary RF voltage. The amplitude of the supplemental RF voltage is increased with time causing ions to become unstable and gain sufficient axial kinetic energy such that the ions overcome the axial DC voltage barrier. Ions emerge axially from the ion guide in mass to charge ratio order. 1. An ion guide comprising:a plurality of electrodes;a first device arranged and adapted to apply a first RF voltage to at least some of said electrodes; anda second device arranged and adapted to apply one or more DC voltages to one or more electrodes in order to maintain one or more axial DC voltage barriers at one or more positions along the ion guide so as to confine at least some ions axially within said ion guide;wherein said ion guide further comprises:a third device arranged and adapted to apply a second RF voltage to at least some of said electrodes, wherein two or more axially adjacent electrodes are maintained at a same first RF phase of said second RF voltage and two or more subsequent axially adjacent electrodes are maintained at a same second RF phase of said second RF voltage, said first RF phase of said second RF voltage being different from or opposite to said second RF phase of said second RF voltage; anda fourth device arranged and adapted to progressively increase, linearly increase, or increase in a stepped or other manner an amplitude, height or depth and/or frequency of either said first RF voltage or said second RF voltage such that at least some of said ions overcome said one or more axial DC voltage barriers and emerge axially from said ion guide.2. An ion guide as claimed in claim 1 , wherein said fourth device is ...

TOF Mass Analyser With Improved Resolving Power

A time of flight analyser that comprises a pulsed ion source; a non-linear ion mirror having a turn-around point; and a detector. The pulsed ion source is configured to produce an ion pulse travelling along an ion flight axis, the ion pulse comprising an ion group consisting of ions of a single m/z value, the ion group having a lateral spread. The non-linear ion mirror is configured to reflect the ion group, at the turn-around point, along the ion flight axis towards the detector, the passage of the ion group through the non-linear ion mirror causing a spatial spread of the ion group. The time of flight mass analyser has at least one lens positioned between the ion source and the ion mirror, wherein the or each lens is configured to reduce said lateral spread so as to provide a local minimum of lateral spread within the ion mirror. 1. A time of flight analyser comprising:a pulsed ion source;a non-linear ion mirror having a turn-around point;a detector;an ion flight axis extending from the pulsed ion source to the detector via the turn-around point of the non-linear ion mirror, the ion flight axis defining a x-direction; anda y-axis defining a y-direction and a z-axis defining a z-direction, the y-axis and the z-axis being mutually orthogonal and orthogonal to the ion flight axis,the pulsed ion source being configured to produce an ion pulse travelling along the ion flight axis, the ion pulse comprising an ion group, the ion group consisting of ions of a single m/z value, the ion group having a lateral spread in y- and z-directions,the non-linear ion mirror being configured to reflect the ion group, at the turn-around point, along the ion flight axis towards the detector, the passage of the ion group through the non-linear ion mirror causing a spatial spread of the ion group in the x-direction at the detector due to the lateral spread of the ion group within the ion mirror,the time of flight mass analyser having at least one lens positioned between the ion source and ...

TECHNIQUES FOR EFFICIENT FRAGMENTATION OF PEPTIDES

Techniques are described for performing mass spectrometry. A stream of one or more ions is generated. The stream is transmitted into a collision cell over a period of time. In accordance with a set of criteria including a retention time of one or more precursor ions, a collision energy of the collision cell is selected to generate one or more product ions for said one or more precursor ions in said stream. 1. A method for performing mass spectrometry comprising:generating a stream of one or more ions;transmitting said stream into a collision cell over a period of time; andselecting, in accordance with a set of criteria including a retention time of one or more precursor ions, a collision energy of the collision cell to generate one or more product ions for said one or more precursor ions in said stream.2. The method of claim 1 , wherein said collision energy is selected in accordance with one or more sets of data respectively associated with said one or more precursor ions claim 1 , each of said sets of data including a retention time claim 1 , a mass or m/z value claim 1 , and a charge state associated with one of said precursor ions.3. The method of claim 1 , wherein the period of time corresponds to an amount of time of an elevated energy scan associated with producing said one or more product ions from said one or more precursor ions.4. The method of claim 3 , wherein claim 3 , during said elevated energy scan claim 3 , said collision energy is varied from a minimum setting to a maximum setting.5. The method of claim 4 , wherein said collision energy is increased during said period of time from said minimum setting to said maximum setting claim 4 , and wherein said collision energy is increased linearly during said period of time.6. (canceled)7. The method of claim 3 , wherein said collision energy causes fragmentation of at least one ion.8. The method of claim 1 , wherein the period of time includes a first amount of time of a low energy scan during which ...

GENERATION OF HARMONICS IN OSCILLATION MASS SPECTROMETERS

The invention relates to measuring cells and measuring methods in oscillation mass spectrometers in which clouds of the same species of ion oscillate harmonically in a potential well in a longitudinal direction, decoupled from their motion transverse to this direction. A frequency analysis of the longitudinal oscillations of these ion clouds, which is carried out by a Fourier analysis of the induced image currents between two detection electrodes, leads to frequency spectra of the ions and hence to mass spectra. The position of the ion trajectories relative to the detection electrodes and the design of the measuring cells in the oscillation mass spectrometers is used to generate large proportions of harmonics in the image currents, and evaluate the frequency signals of the harmonics. The frequency signals of these harmonics have a higher resolution in the frequency spectrum (and hence in the mass spectrum), and allow resolution of the signals from ionic species of very similar mass which are not resolved in the fundamental oscillation. The accuracy of the mass determination increases proportionally 1. An oscillation mass spectrometer , comprising:a measuring cell in which ion clouds can oscillate harmonically; anda device comprising detection electrodes that measures image currents induced by the ion clouds in the measuring cell, wherein proportions of harmonics are generated in the image currents by the measuring cell with the detection electrodes and by the position of the ion trajectories in relation to the detection electrodes.2. The oscillation mass spectrometer of claim 1 , wherein the measuring cell is configured and arranged as a Kingdon ion trap that includes an outer housing and outer housing electrodes.3. The oscillation mass spectrometer of claim 2 , wherein one of the outer housing electrodes has an aperture for the introduction of the ions claim 2 , and the aperture is positioned such that harmonics are generated in the image currents by the ...

Method of Avoiding Space Charge Saturation Effects In An Ion Trap

A mass spectrometer includes a first ion trap arranged upstream of an analytical second ion trap. The charge capacity of the first ion trap is set at a value such that if all the ions stored within the first ion trap up to the charge capacity limit of the first ion trap are then transferred to the second ion trap, then the analytical performance of the second ion trap is not substantially degraded due to space charge effects.

ION DETECTION ARRANGEMENT

A mass spectrometer is disclosed having a mass analyser with a mass-to-charge dispersive element for separating ions according to their mass-to-charge ratios along a dispersive plane and an ion deflector to deflect ions leaving the mass analyser in the dispersive plane. A shielding arrangement, located between the dispersive element and the ion deflector is arranged to define the portion of the beam to be deflected by the ion deflector. The deflected beam is steered onto a beam defining aperture, located at the focal plane of the mass analyser is detected by at least one ion detector, located downstream from the beam defining aperture. 1. A mass spectrometer , comprising:a mass analyser, comprising a mass-to-charge dispersive element, the mass analyser being arranged to receive ions, to separate the ions according to their mass-to-charge ratios along a dispersive plane and to focus the ions in a beam at a focal plane;an ion deflector, arranged downstream from the dispersive element to deflect ions leaving the mass analyser in the dispersive plane;a shielding arrangement, located between the dispersive element and the ion deflector and being arranged to define the portion of the beam to be deflected by the ion deflector;a beam defining aperture, located downstream from the ion deflector and substantially at the focal plane of the mass analyser; andat least one ion detector, located downstream from the beam defining aperture.2. The mass spectrometer of claim 1 , wherein the shielding arrangement comprises a beam limiting aperture claim 1 , having a width so as to define the beam from the mass analyser in the dispersive plane claim 1 , and wherein the beam defining aperture has a width in the dispersive plane that is narrower than the width of the beam limiting aperture.3. The mass spectrometer of claim 1 , wherein the beam defining aperture is at a location displaced from the focal plane by a distance that is small in comparison with the depth of focus of the mass ...

METHODS AND APPARATUSES FOR PRODUCING MASS SPECTRUM DATA

The present invention is concerned with methods and apparatuses for generating mass spectrum data using a mass spectrometer by subtracting noise mass spectrum data representative of noise in the mass spectrometer from signal mass spectrum data representative of the mass/charge ratio of ions in a sample material. This produces a modified signal mass spectrum data representative of the mass/charge ratio of ions in the sample material. The method includes acquiring and subtracting noise mass spectrum data representative of noise in the mass spectrometer or alternatively subtracting noise mass spectrum data from a previously acquired or pre-stored noise spectrum data. Embodiments demonstrate reduced noise and in particular reduced systematic noise compared with the originally acquired signal mass spectrum data. 1. A method of producing mass spectrum data using a mass spectrometer having an ion source and an ion detector , wherein the method includes:acquiring signal mass spectrum data representative of the mass/charge ratio of ions of sample material based on the output of the ion detector during at least one signal acquisition cycle in which ions of sample material generated by the ion source are detected by the ion detector; andsubtracting noise mass spectrum data representative of noise in the mass spectrometer from the signal mass spectrum data to produce modified signal mass spectrum data representative of the mass/charge ratio of ions of the sample material.2. A method according to wherein the method includes acquiring the noise mass spectrum data representative of noise in the mass spectrometer based on the output of the ion detector during at least one noise acquisition cycle.3. A method according to claim 2 , wherein claim 2 , in the at least one noise acquisition cycle claim 2 , the ion detector does not detect any ions from the ion source.4. A method according to claim 2 , in the at least one noise acquisition cycle claim 2 , either the ion source does not ...

METHOD AND A MASS SPECTROMETER AND USES THEREOF FOR DETECTING IONS OR SUBSEQUENTLY-IONISED NEUTRAL PARTICLES FROM SAMPLES

A method is used in a time-of-flight mass spectrometer for analysis of a first pulsed ion beam, the ions of which are disposed along the pulse direction, separated with respect to their ion masses. The ions of at least one individual predetermined ion mass or of at least one predetermined range of ion masses can be decoupled from the first pulsed ion beam, as at least one decoupled ion beam, and the first ion beam and the at least one decoupled ion beam are analyzed. 1. Method for operating a time-of-flight mass spectrometer for analysis of a first pulsed ion beam , the ions of which are disposed in a separated manner along the pulse direction with respect to their ion masses ,the improvement whereinthe ions of at least one individual predetermined ion mass or of at least one predetermined range of ion masses are decoupled from the first pulsed ion beam and form at least one decoupled ion beam, and the first ion beam and the at least one decoupled ion beam are analyzed.2. Method according to claim 1 , wherein the intensity of at least one decoupled ion beam or the intensity of the first ion beam is attenuated after decoupling.3. Method according to claim 1 , wherein at least one decoupled ion beam claim 1 , after attenuation of the first ion beam or of the decoupled ion beam claim 1 , is reunited with the first ion beam in order to form a common ion beam.4. Method according to claim 3 , wherein the ions of the decoupled ion beam and of the first ion beam are positioned in the common ion beam claim 3 , separated with respect to their masses.5. Method according to claim 1 , wherein at least one decoupled ion beam is analyzed separately from the first ion beam.6. Method according to claim 5 , wherein the first ion beam is analyzed with lower sensitivity than the decoupled ion beam which is analyzed separately from the first ion beam.7. Method according to claim 1 , wherein a common mass spectrum claim 1 , advantageously in portions claim 1 , is determined from the ...

Systems and Methods for Extending the Dynamic Range of Mass Spectrometry

Systems and methods are used to predict intensities for points not measured or not measured with a high degree of confidence of a peak using a peak predictor. A set of data is selected from the plurality of intensity measurements that includes a peak. Confidence values are assigned to each data point in the set of data producing a plurality of confidence value weighted data points. A peak predictor is selected. The peak predictor is applied to the plurality of confidence value weighted data points of the peak that have confidence values greater than a first threshold level using the prediction module, producing predicted intensities for data points of the peak not measured and/or measured data points of the peak that have confidence values less than or equal to a second threshold level. The confidence values can include system confidence values, predictor confidence values, or any combination of the two. 1. A system for predicting intensities for data points not measured or not measured with a high degree of confidence of a peak using a peak predictor , comprising:a mass spectrometer that produces a plurality of intensity measurements; and the processor selects a set of data from the plurality of intensity measurements that comprises a peak,', 'the processor assigns confidence values to each data point in the set of data producing a plurality of confidence value weighted data points,', 'the processor selects a peak predictor, and', 'the processor applies the peak predictor to the plurality of confidence value weighted data points of the peak that have confidence values greater than a first threshold level and the peak predictor produces predicted intensities for data points of the peak not measured and/or measured data points of the peak that have confidence values less than or equal to a second threshold level., 'a processor in communication with the mass spectrometer, wherein the processor obtains the plurality of intensity measurements from the mass spectrometer ...

Analyses of Analytes by Mass Spectrometry with Values in at Least 3 Dimensions

A method for analysis of analytes in a sample and to the use of such a method and a method for monitoring progress, or treatment of a disease such as fat-related disease. These analysis methods include the steps of providing the sample, measuring of values of analytes in the sample, calculating of values based on the measured values, identifying and optionally visualizing analytes can particularly be used for monitoring quantitative changes of analytes and for monitoring progress or treatment of a disease such as a fat-related disease. 1. A method for analysis of analytes in a sample comprising the steps ofproviding a sample containing analytes.measuring a first set of values of the analytes in the sample,calculating a second set of values based on the measured first set of values, andidentifying the analytes by confining the measured first set of values of each analyte based on the second set of values in three or more dimensions; and optionally,visualizing of each confined value of each identified analyte.2. The method according to claim 1 , wherein the identifying of the analytes comprises calculation of theoretical isotopic distribution of each analyte of interest from a chemical formula of each analyte.3. The method according to claim 1 , wherein the identifying of the analytes further comprises calculation of mass-to-charge-profile and chromatogram.4. The method according to claim 1 , wherein the identifying of the analytes comprises determination of four or more border values.5. The method according to claim 1 , wherein the three or more dimensions are selected from the group consisting of mass-to-charge-ratio claim 1 , time and value intensity.6. The method according to claim 1 , wherein the identifying of the analytes further comprises filtering of values which do not fit to the theoretical isotopic distribution.7. The method according to claim 1 , wherein the analytes are selected from a group of mostly single-charged analytes consisting of nucleotides ...

METHOD FOR ANALYZING STRUCTURE OF SUBSTANCE

A method for analyzing a structure of a substance of interest uses triple-quadrupole mass spectrometry (TQ-MS), and allows for acquisition of MSinformation from data resulting from the TQ-MS measurement. The method includes (a) performing a measurement of triple quadrupole mass spectrometry with respect to the substance of interest while varying a value of CID energy; (b) at given values of CID energy, calculating percentages of precursor ion contents to a total ion content, and percentages of product ion contents to the total ion content; (c) extracting values of the percentages of product ion contents to the total ion content, wherein said values are values of the percentages of product ion contents at the respective values of CID energy; and (d) calculating sums of all combinations of the values of the percentages of product ion contents to the total ion content extracted in step (c). 1. A method for analyzing a structure of a substance of interest , comprising:(a) performing a measurement of triple quadrupole mass spectrometry with respect to the substance of interest while varying a value of CID energy;(b) at given values of CID energy, calculating percentages of precursor ion contents to a total ion content, and percentages of product ion contents, each having specific m/z values, to the total ion content;(c) extracting values of the percentages of product ion contents, each having specific m/z values, to the total ion content, wherein said values are values of the percentages of product ion contents at the respective values of CID energy which give respective values of the percentages of the precursor ion contents to the total ion content calculated in step (b);(d) calculating sums of all combinations of the values of the percentages of product ion contents, each having specific m/z values, to the total ion content extracted in step (c); and(e) from functions where the values of percentages of precursor ion contents to the total ion content are assigned as x ...

KISSPEPTIN-54 DETECTION BY TANDEM MASS SPECTROMETRY

Methods are described for measuring the amount of a kisspeptin-54-derived peptides in a sample. More specifically, mass spectrometric methods are described for detecting and quantifying a kisspeptin-54 derived peptides in a sample utilizing on-line extraction methods coupled with tandem mass spectrometric techniques. 1. A method for determining by mass spectrometry the amount in a sample of one or more kisspeptin-54-derived peptides selected from the group consisting of kisspeptin-54 , kisspeptin-53 , kisspeptin-52 , kisspeptin-54(R14P) , kisspeptin-53(R14P) , and kisspeptin-52(R14P) , said method comprising:(a) subjecting the sample to ionization under conditions suitable to produce one or more multiply charged kisspeptin-54-derived peptide ions detectable by mass spectrometry;(b) determining by mass spectrometry the amount of one or more ions from each of said one or more kisspeptin-54-derived peptides; and(c) using the amount of the determined ions to determine the amounts of the corresponding one or more kisspeptin-54-derived peptides in the sample.2. The method in claim 1 , wherein the sample comprises two or more kisspeptin-54-derived peptides selected from the group.3. The method of claim 1 , further comprising claim 1 , prior to step (a) claim 1 , enriching the concentration of the one or more kisspeptin-54-derived peptides with an antibody specific for the N-terminal portion of kisspeptin-54.4. The method in claim 1 , wherein at least one of said multiply charged ions generated in step (a) is selected from the group of ions with a charge consisting of 4+ claim 1 , 5+ claim 1 , 6+ claim 1 , and 7+.5. The method of claim 1 , wherein said one or more kisspeptin-54-derived peptides comprise kisspeptin-54 andwherein said multiply charged ions generated in step (a) are selected from the group of ions with m/z of 1172.4±0.5, 977.2±0.5, and 837.7±0.5.6. The method of claim 1 , wherein said one or more kisspeptin-54-derived peptides comprise kisspeptin-54(R14P) ...

Mass Spectrometer

A mass analyser is provided comprising a plurality of electrodes having apertures through which ions are transmitted. A plurality of pseudo-potential corrugations are created along the axis of the mass analyser. The amplitude or depth of the pseudo-potential corrugations is inversely proportional to the mass to charge ratio of an ion. Transient DC voltages are applied to the electrodes in order to urge ions along the length of the mass analyser. The amplitude of the transient DC voltages applied to the electrodes is increased with time and ions are caused to be emitted from the mass analyser in reverse order of their mass to charge ratio. Two AC or RF voltages are applied to the electrodes. The first AC or RF voltage is arranged to provide optimal pseudo-potential corrugations whilst the second AC or RF voltage is arranged to provide optimal radial confinement of ions within the mass analyser. 1. A mass analyzer comprising:an ion guide including a plurality of electrodes;a first source for creating one or more axial time averaged or pseudo-potential barriers, corrugations or wells created along at least a portion of the axial length of said ion guide;an RF voltage for confining ions radially in use within said ion guide; anda second source forming an electric field, voltage, or waveform along at least a portion of the guide for driving ions through at least a portion of the axial length of said ion guide so that in a mode of operation ions having mass to charge ratios within a first range exit said ion guide while ions having mass to charge ratios within a second different range are axially confined within said ion guide by said plurality of axial time averaged or pseudo-potential barriers, corrugations or wells.2. A mass analyzer as claimed in claim 1 , wherein the one or more axial time averaged or pseudo-potential barriers claim 1 , corrugations or wells are created by applying a first RF voltage having a first frequency and a first amplitude to at least some of ...

SATURATION CORRECTION FOR ION SIGNALS IN TIME-OF-FLIGHT MASS SPECTROMETERS

The invention relates to time-of-flight mass spectrometers in which individual time-of-flight spectra are measured by detection systems with limited dynamic measurement range and are summed to sum spectra. The invention proposes a method to increase the dynamic range of measurement of the spectrum. To achieve this, those ions signals whose measured values display saturation of the analog-to-digital converter (ADC) are replaced by correction values, particularly if several successive measured values are in saturation. The correction values are obtained from the width of the signals, preferably simply from the number of measured values in saturation. 1. A method for increasing a dynamic measurement range of a spectrum acquisition of a time-of-flight mass spectrometer , comprising:acquiring an individual time-of-flight spectrum containing ion signals, each ion signal having a multitude of measured values;replacing those ion signals that were driven into saturation with correction values, wherein an intensity of the correction values is determined from one of a width of the ion signals in saturation and a number of the measured values at an upper intensity limit of an ion signal in saturation; andadding the individual time-of-flight spectrum, corrected accordingly, to a sum time-of-flight spectrum.2. The method according to claim 1 , wherein the correction values are provided in a memory device and are ordered according to the number of measured values of an ion signal in saturation.3. The method according to claim 2 , wherein the memory device comprises a table claim 2 , and the correction values in the table are obtained by calibration measurements of the isotope patterns of substance ions in time-of-flight spectra.4. The method according to claim 1 , wherein for determining the correction values the times of flight of the ions in the ion signal are used additionally.5. The method according to claim 4 , wherein the correction values are provided in a memory device and ...

ION TRAP TYPE MASS SPECTROMETER AND MASS SPECTROMETRY

Provide is an ion trap mass spectrometer which is configured to gain an MS spectrum of only fragment data in an MS/MS analysis, thereby makes it possible to perform the analysis in a short period. For this purpose, the device is comprised of: an ionization unit configured to ionize a sample which has been separated into respective components; an ion trap unit configured to trap ions ionized by ionization unit in an electric field and eject the ions in accordance with the respective masses of the ions; a detection unit configured to detect the ions ejected from the ion trap unit; and a processing unit configured to generate an MS spectrum (mass spectrum) on the basis of data detected in the detection unit. The processing unit further configured to gain an MS spectrum of only fragment data of a target ion from a difference between an MS spectrum gained in an MS analysis made before and/or after an MS/MS analysis and an MS spectrum gained in the MS/MS analysis. 1. A mass analysis method of ionizing a sample which has been separated into respective components , introducing the resultant ions into an ion trap unit to be trapped in an electric field , and detecting the ions ejected in accordance with the respective masses of the ions to generate an MS spectrum (mass spectrum) , comprising the steps of:generating a first MS spectrum of the sample,carrying out an MS/MS analysis of a target peak ion selected from the first MS spectrum to generate a second MS spectrum,carrying out an MS/MS analysis of the target peak ion gained in the second MS spectrum to generate a third MS spectrum,generating a fourth MS spectrum from the first MS spectrum and the third MS spectrum, andgenerating, from a difference between the fourth spectrum and the second MS spectrum, a fifth MS spectrum containing only fragment information.2. An ion trap mass spectrometer , comprising:an ionization unit configured to ionize a sample which has been separated into respective components;an ion trap unit ...

METHOD AND SYSTEM FOR INCREASING THE DYNAMIC RANGE OF ION DETECTORS

A mass spectrometer system can include a mass analyzer operable to mass transmit streams of ions to a detector in a mass dependent fashion for measurement of ion flux intensity. An ion attenuator can be located in the extraction region between the mass analyzer and detector, downstream of the mass analyzer, and can be operable to provide selective attenuation of the ion beam by attenuating ion flux intensity also in mass dependent fashion. Higher concentration ions can be selected and attenuated, while other lower concentration ions can be left unattenuated. Different ions can be attenuated to different degrees. Locating the ion attenuator downstream of the mass analyzer so that the ion beam is already mass differentiated when attenuated can avoid mass discriminatory effects associated with ion beam attenuators. Selective attenuation of only certain ions but not others can extend the dynamic range of the detector without necessarily sacrificing detector sensitivity. 1. A method of operating a mass spectrometer system , the method comprising:a) providing a plurality of kinds of ions of different mass to charge ratios in an upstream mass analyzer;b) transmitting the plurality of kinds of ions from the upstream mass analyzer to a detector by transmitting each kind of ions in the plurality of kinds of ions as a stream of that kind of ions;c) detecting the plurality of kinds of ions at the detector to generate a plurality of detection signals, wherein the plurality of detection signals comprises an associated detection signal for each kind of ions in the plurality of kinds of ions; and,d) for at least one kind of ions in the plurality of kinds of ions, attenuating the associated detection signal for that kind of ions by an attenuation factor by attenuating the stream of that kind of ions from the upstream mass analyzer to the detector to reduce a number of ions of that kind of ions reaching the detector by the attenuation factor.2. The method as defined in claim 1 , ...

Methods and Systems for Matching Product Ions to Precursor Ions

Methods of tandem mass spectrometry are disclosed, characterized by: providing a mixture of precursor ions comprising a plurality of individually isolated ion types of respective selected m/z ratios; estimating an elemental composition for each precursor ion type based on its respective m/z ratio; generating a sample of fragment ions comprising a plurality of fragment ion types by fragmenting the plurality of precursor ion types of the mixture; generating a mass spectrum of the fragment ion types to determine a respective m/z ratio or m/z ratio range for each respective fragment ion type; estimating an elemental composition for each fragment ion type based on its respective m/z ratio or m/z ratio range; and calculating probabilities, for each precursor ion type, that a fragment ion type or a pair of fragment ion types was derived from said precursor ion type. 1. A method of tandem mass spectrometry (MS/MS) for use in a mass spectrometer characterized by the steps: (a1) selecting a distinct mass to charge (m/z) ratio;', '(a2) isolating a set of precursor ions of a precursor ion type, said precursor ions of said precursor ion type comprising said m/z ratio;', '(a3) estimating an elemental composition for the precursor ions comprising said (m/z) ratio, the estimation based on said m/z ratio and an estimated charge state; and', '(a4) transferring said isolated precursor ions into an ion storage device, so as to create a mixture of precursor ion types therein, the mixture including any precursor ions previously transferred into the ion storage device., '(a) repeating, a finite number of times, the steps of(b) generating fragment ions comprising plurality of fragment ion types by fragmenting the plurality of precursor ion types of the mixture;(c) generating a mass spectrum of the fragment ion types so as to determine a respective m/z ratio or m/z ratio range for each respective fragment ion type;(d) estimating an elemental composition for each of the fragment ion types ...

IONISATION MASS SPECTROMETRY

Systems that employ microdroplets are used in embodiments for Microdroplet Electrospray Ionisation Mass Spectrometry (ESI MS). Thus, a method of detecting an analyte includes providing an oil composition comprising oil and an aqueous microdroplet comprising the analyte, the oil composition comprising a surfactant to stabilise the aqueous microdroplet in the oil composition; and performing ionisation mass spectrometry analysis of the oil composition. 159-. (canceled)60. A method of detecting analyte , the method comprising:providing an oil composition comprising oil and an aqueous microdroplet comprising said analyte, said oil composition comprising surfactant to stabilise said aqueous microdroplet in said oil composition; andperforming ionisation mass spectrometry analysis of said oil composition.61. A method as claimed in claim 60 , wherein said ionisation mass spectrometry comprises electrospray ionisation of said oil composition.62. A method as claimed in claim 60 , the method further comprising:mixing said surfactant-stabilised aqueous microdroplets in said oil with an oil or solution to at least partially displace the surfactant from said microdroplets, prior to performing said ionisation mass spectrometry.63. A method as claimed in claim 60 , wherein said oil or solution is a solution comprising a second said surfactant to at least partially displace the original surfactant.64. A method as claimed in claim 63 , wherein said second surfactant is less ionisable than said original surfactant.65. A method as claimed in claim 63 , wherein the original surfactant is a polymeric surfactant and said second surfactant is non-polymeric.66. A method as claimed in claim 62 , wherein said oil or solution comprises a fluorous oil or a solution of said second surfactant in a fluorous oil.67. A method as claimed in claim 62 , further comprising controlling a proportion of said displacement of said surfactant by controlling a flow rate of said oil or solution mixing with said ...

CHARGED PARTICLE SPECTRUM ANALYSIS APPARATUS

A charged particle spectrum analysis apparatus comprising an electric field generator arranged to subject charged particles to a time-varying electric field, a detector to record charged particle time spectrum data of charged particles which have passed through the electric field, the detector comprising a position-sensitive detection portion, and the time-varying electric field arranged to be activated in synchrony with activation of detector, and the time-varying electric field arranged to subject a predetermined region of said detection portion to consecutive charged particle deflection cycles. 1. A charged particle spectrum analysis apparatus comprising: an electric field generator arranged to subject charged particles to a time-varying electric field , a detector to record charged particle time spectrum data of charged particles which have passed through the electric field , wherein the detector comprises a position-sensitive detection portion , and wherein the time-varying electric field is arranged to be activated in synchrony with activation of detector , and wherein the time-varying electric field is arranged to subject a predetermined region of said detection portion to consecutive charged particle deflection cycles.2. The apparatus as claimed in claim 1 , wherein the electric field generator is arranged to generate a cyclic electric field claim 1 , the magnitude of which increases with time in each cycle.3. The apparatus as claimed in claim 2 , wherein the electric field generator is arranged to generate a cyclic ramped electric field.4. The apparatus as claimed in claim 1 , wherein the detector comprises an image sensor arranged to record images of distributions of charged particles.5. The apparatus as claimed in claim 4 , wherein the image sensor is arranged to record images of distributions of charged particles impinging on the position-sensitive detection portion.6. The apparatus as claimed in claim 4 , wherein a frame rate of the image sensor is ...

PERIODIC FIELD DIFFERENTIAL MOBILITY ANALYZER

A periodic field differential mobility analyzer apparatus for separating and identifying ionic analytes employs a series of elongated parallel channels, a pump, a first voltage providing an electric field Ein a direction opposing the gas flow, a second voltage providing an electric field Ein a direction perpendicular to the gas flow, an ion source, and a detector. The periodic field differential mobility analyzer provides high resolution and sensitivity. 1. A periodic field differential mobility analyzer apparatus for separating and identifying ionic analytes , comprising:a series of elongated parallel channels, each channel having an inlet at a first end and an outlet at a second end, each channel enclosed between first and second parallel walls, each first wall being formed from first and second electrode plates arranged to provide a slit opening in the first wall, each second wall being formed from third and fourth electrode plates arranged to provide a slit opening in the second wall, wherein the first and third electrode plates enclosing a channel oppose each other and the second and fourth electrode plates enclosing a channel oppose each other, wherein adjacent channels share electrode plates of one wall in common, wherein the channels are in fluid communication through the slit openings in each wall, and wherein the slit openings in each of the channels are aligned;a pump operable to force gas in laminar flow along each of the series of parallel channels;{'sub': 'x', 'a first voltage drop applied between the first and second electrode plates of the first wall of each channel providing an electric field Ein a direction opposing the gas flow, wherein the first voltage drop is also applied between the third and fourth electrode plates of the second wall;'}{'sub': y', 'x', 'y, 'a second voltage drop applied between the first and third electrode plates of each channel providing an electric field Ein a direction perpendicular to the gas flow, wherein the second ...

METHODS OF USING HALOGENATED PEPTIDES AS INTERNAL STANDARDS FOR LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY

Methods of using halogenated peptides as internal standards for liquid chromatography-mass spectrometry, and novel halogenated peptides useful for the same, are disclosed. In particular, methods of using halogenated peptides as internal standards in proteomic analyses, as well as methods of using halogenated peptides to conduct quality control assessments of and/or to calibrate liquid chromatography-mass spectrometry systems are disclosed. 1. A method for identifying and quantifying a peptide in a sample , the method comprising:(a) adding a plurality of halogenated peptide standards to the sample;(b) analyzing the sample using liquid chromatography-mass spectrometry;(c) identifying the liquid chromatography-mass spectrometry data which correspond to the peptide;(d) identifying the liquid chromatography-mass spectrometry data which correspond to the halogenated peptide standards; and(e) quantifying the amount of the peptide in the sample using the data identified in steps (c) and (d).2. A method for monitoring performance of a liquid chromatography-mass spectrometry system , the method comprising:(a) adding a plurality of halogenated peptide standards to a sample;(b) analyzing the sample using the liquid chromatography-mass spectrometry system;(c) identifying the liquid chromatography-mass spectrometry data which correspond to the halogenated peptide standards;(d) using the data identified in step (c) to conduct a quality control assessment of the liquid chromatography-mass spectrometry system or to calibrate the liquid chromatography-mass spectrometry system.3. The method of wherein step (d) further comprises using the data identified in step (c) to:(i) determine the limit of an intensity normalization process used with the liquid chromatography-mass spectrometry system and eliminate liquid chromatography-mass spectrometry data with variations beyond the limit;(ii) determine whether variation in liquid chromatography-mass spectrometry system data of the liquid ...

METHOD FOR DETERMINING BORON ISOTOPIC COMPOSITION BY PTIMS - STATIC DOUBLE COLLECTION

A method for determining boron isotopic composition by PTIMS (Positive Thermal Ionization Mass Spectrometry)—static double collection realizes simultaneous static collection of m/e309 peak and m/e308 peak by double Faraday cups through adjusting the two parameters Focus Quad and Dispersion Quad in Zoom Optics, and completes high-accuracy determination of boron isotopic composition. The method includes (1) determining Focus Quad and Dispersion Quad parameters in the Zoom Optics of the ion source; (2) determining the two parallel cups in the Faraday collector and their parameters; (3) determining the collection mass number of the center cup of the Faraday collector. The method of the present invention establishes a method for determining boron isotopic composition by static collection with double Faraday cups under the condition of not changing high voltage parameters and Faraday cup hardware setting, greatly shortens data acquisition time compared to the dynamic peak jumping method, and improves the sensitivity and internal and external accuracy of the determination of boron isotopic composition by PTIMS. 1. A method for determining boron isotopic composition by PTIMS-static double collection , including the following steps:(1) Selecting two parallel Faraday cups with a largest deflection angle in a Faraday collector to collect m/e309 and m/e308 boron isotope ions, respectively, and setting a cup distance as a minimum value;(2) Adjusting Focus Quad and Dispersion Quad parameters in Zoom Optics of an ion source till the following conditions are met:(i) After optical focusing and deflection, m/e309 and m/e308 boron isotope ions are fully collected in the two selected Faraday cups;(ii) The peaks of the two ions are flat peaks without tailing peaks and prepeaks;(iii) The peaks of the two ions are fully overlapped;(3) Adjusting the collection mass number of the center cup of the Faraday collector till the following conditions are satisfied:(i) In this mass number, no ion ...

Mass Spectroscope and its Adjusting Method

In order to enable the mass spectroscope to reduce the operation load of the adjustment of the amplitude difference, and to reduce the increase in power consumption caused by the difference between the resonance frequency and the drive frequency, the resonance circuit unit of the ion trap section is configured to control the amplitude difference adjustment section of the resonance circuit unit to adjust that the amplitude difference between the high-voltage RF signals decreases, and controls the frequency synchronizing section of the resonance circuit unit to adjust that the resonance frequency of the resonance circuit is aligned with the drive frequency of the RF signal source, on the basis of the information about the amplitude difference between the high-voltage RF signals and the resonance frequency of the resonance circuit unit, which have been measured by a resonance frequency/amplitude difference measuring unit.

METHOD AND DEVICE FOR MEASURING GLOW DISCHARGE SPECTROMETRY IN PULSED MODE

The present invention relates to a device for measuring glow discharge spectrometry in pulsed mode, which includes an RF electric field generator in pulsed mode, a discharge lamp, an impedance matching device for transferring the electric power supplied by the generator to the discharge lamp and a mass spectrometer suitable for measuring at least one signal representative of an ionised plasma species. According to the invention, the device includes a measurement system suitable for measuring a signal representative of the impedance mismatch ΔΩ between the generator and the discharge lamp, said measurement system including a fast acquisition system, synchronized with the pulses and suitable for supplying the impedance matching device with a signal representing the impedance mismatch ΔΩ for at least one part of said pulses. The device enables continuous impedance adaptation. 1. A method for the measurement of a solid sample by pulsed glow discharge spectrometry , comprising:{'sub': 1', '1', '1', '1, 'a) applying a pulsed RF electric field at the terminals of the electrodes of a glow discharge lamp in the presence of a carrier gas and a sample to be analysed, said lamp being electrically coupled to an impedance matching device having a variable electric impedance Ω, so as to generate a pulsed glow discharge plasma, the duration of an electric pulse being equal to τ, the pulse repetition frequency being equal to Fand the cyclic ratio of a pulse being equal to τ×F;'}{'sub': 2', '1, 'b) measuring by mass spectrometry at least one signal representative of a ionised species having a predetermined m/z ratio, said measurement being carried out at an acquisition frequency Fhigher than 1/τ;'}{'sub': 3', '1, 'c) measuring a signal representative of an impedance mismatch ΔΩ between a pulsed RF electric field generator and electrodes of the discharge lamp during at least one part of the plasma pulses by means of using a fast measurement acquisition system synchronised with said ...

Method And System Of Identifying A Sample By Analyising A Mass Spectrum By The Use Of A Bayesian Inference Technique

A method and system for the identification and/or characterisation of properties of a sample using mass spectrometry. The method involves producing a measured spectrum of data from a sample using a mass spectrometer, deconvoluting the measured spectrum of data by Bayesian inference to produce a family of plausible deconvoluted spectra of data, inferring an underlying spectrum of data from the family of plausible deconvoluted spectra of data and using the underlying spectrum of data to identify and/or characterise the sample. 1. A method of identifying or characterising at least one property of a sample , the method comprising the steps of:a. producing at least one measured spectrum of data from a sample using a mass spectrometer;b. deconvoluting the at least one measured spectrum of data by Bayesian inference to produce a family of plausible deconvoluted spectra of data;c. inferring an underlying spectrum of data from the family of plausible deconvoluted spectra of data; andd. using the underlying spectrum of data to identify or characterise at least one property of the sample.2. The method of further comprising the step of identifying the uncertainties associated with underlying spectrum of data from the family of plausible deconvoluted spectra of data.3. The method of claim 1 , wherein the deconvolution step further comprises assigning a prior using a procedure comprising at least two steps.4. The method of claim 3 , wherein the procedure comprises first assigning a prior to the total intensity and then modifying the prior relative to the proportions for specific charge states.5. The method of claim 1 , wherein the deconvolution step further comprises the use of a nested sampling technique.6. The method of claim 1 , wherein the procedure comprises varying predicted ratios of isotopic compositions to identify or characterise the at least one property of the sample.7. The method of further comprising comparing at least one characteristic of the underlying spectrum ...

IDENTIFICATION OF ANALYTES BY AN ION MOBILITY SPECTROMETER WITH FORMATION OF DIMER ANALYTES

The subject of the invention is a method for identification of analytes with an ion mobility spectrometer by performing a series of measurements while varying the residence time of the analytes in the reaction space and identifying of monomer and nascent dimer analytes in the spectra so obtained. 1. A method for spectroscopy with charged analytes , comprising at least the following steps:introducing a gas sample comprising a gas mixture into a reaction space;{'sub': 'e', 'carrying out an ionization process in the reaction space to create charged analytes by letting an ionization pulse I act for a time interval Δton the gas mixture;'}{'sub': 'F', 'subsequent carrying out of a transfer process by letting an ion extraction pulse F act for a time interval Δton the charged analytes in the gas mixture by which the charged analytes are taken by the extraction field produced from the ion extraction pulse F from the reaction space into a drift space;'}{'sub': 'Rn', 'drifting of the charged analytes in the drift space to a detector by means of a drift field present in the drift space and obtaining analyte signals from the analytes reaching the detector, wherein at least 3 measurements are performed and spectra recorded for one gas comprising analytes, wherein the spectra give the intensity of the analyte signals versus the drift time and for measurement to measurement the residence time in the reaction space Δtis changed between the start of the ionization pulse I and the start of the ion extraction pulse F,'}{'sub': Rn', 'Rn, 'wherein the peaks of the analyte signals of the various measurements are compared and each time falling and rising peak heights of a particular drift time are ascertained with respect to the peaks of the measurement with smaller Δtrelative to the peaks of the measurements with larger Δt, the peaks of a particular shorter drift time with falling peak height are classified as the analyte signal of a monomer analyte ion and the peaks rising in intensity ...

Systems and Methods for Feature Detection in Mass Spectrometry Using Singular Spectrum Analysis

Singular spectrum analysis is used to detect a feature from mass spectrometry data. A plurality of scans of a sample is performed producing mass spectrometry data using a spectrometer. A singular spectrum analysis is performed on the mass spectrometry data using a fixed window width in which one or more components other than the highest ranked component are grouped in a set and the one or more components grouped in the set are summed producing reconstructed data using the processor. A feature of the mass spectrometry data is detected by analyzing an aspect of the reconstructed data using the processor. Analyzing an aspect of the reconstructed data includes using pairs of zero crossings in the reconstructed data to detect bounds on a location of the feature in the mass spectrometry data. 1. A system for detecting a feature from mass spectrometry data , comprising:a mass spectrometer that performs a plurality of scans of a sample producing mass spectrometry data; and obtains the mass spectrometry data from the mass spectrometer,', 'performs singular spectrum analysis on the mass spectrometry data in which one or more components other than the highest ranked component are grouped in a set and the one or more components grouped in the set are summed producing reconstructed data, and', 'detects a feature of the mass spectrometry data by analyzing an aspect of the reconstructed data., 'a processor in communication with the mass spectrometer that'}2. The system of claim 1 , wherein the mass spectrometry data comprises a mass spectrum.3. The system of claim 1 , wherein the mass spectrometry data comprises a chromatogram.4. The system of claim 1 , wherein the number of the one or more components other than the highest ranked component that are grouped in the set is based on a sub-linear function.5. The system of claim 4 , wherein the processor performs singular spectrum analysis using a fixed window width and wherein the sub-linear function comprises a square root of the ...

Mass Spectrometer Incorporating Hydrogen-Deuterium Exchange

A mass spectrometer is disclosed comprising a hydrogen-deuterium exchange cell. Isomeric ions having different conformations but substantially similar ion mobilities can be differentiated by subjecting the ions to hydrogen-deuterium exchange. Two ions having similar ion mobilities can be differentiated more effectively if they have different surface conformations by determining the relative degree of hydrogen-deuterium exchange. 1. A method of mass spectrometry comprising:subjecting first and second analyte ions to hydrogen-deuterium exchange within a first device wherein one or more hydrogen atoms of said first and second analyte ions exchange with one or more deuterium atoms to form first and second deuterated ions;passing said first and second deuterated ions from said first device to an ion mobility spectrometer;mass analysing deuterated ions which emerge from said ion mobility spectrometer at a first time to produce first mass spectral data;mass analysing deuterated ions which emerge from said ion mobility spectrometer at a second later time to produce second mass spectral data; andcomparing said first mass spectral data with said second mass spectral data to aid differentiation between either: (i) said first and second analyte ions; or (ii) said first deuterated ions and said second deuterated ions.2. A method as claimed in claim 1 , wherein said step of passing said first and second deuterated ions from said first device to said ion mobility spectrometer further comprising temporally separating said first and second deuterated ions within said ion mobility spectrometer.3. A method of mass spectrometry comprising:passing first and second analyte ions to an ion mobility spectrometer;subjecting said first and second analyte ions which emerge from said ion mobility spectrometer to hydrogen-deuterium exchange within a first device wherein one or more hydrogen atoms of said first and second analyte ions exchange with one or more deuterium atoms to form first and ...

METHOD FOR CRYSTALLIZING LOW MASS IONS FOR DIAGNOSING COLORECTAL CANCER AND METHOD FOR DIAGNOSING COLORECTAL CANCER USING SAME

The present invention provides a method for crystallizing low mass ions for diagnosing colorectal cancer by using a MALDI-TOF mass spectrometer to biostatistically analyze low mass ions, which are extracted from a biological sample, and a method for providing information for diagnosing colorectal cancer using same. The present inventions can provide a diagnostic method, which requires low cost and a short time for analysis, can analyze large areas, and which can provide superior and credible discriminations. 133.-. (canceled)34. A method for crystallizing low mass ion for diagnosing colorectal cancer (CRC) , the method comprising steps of:(a) aligning peak intensities of low mass ions measured from biological samples of a plurality of cases and acquiring the same;(b) performing a biostatistical analysis on the acquired peak intensities;(c) selecting predetermined cases from among the plurality of cases based on a result of the biostatistical analysis; and(d) re-performing the biostatistical analysis on the predetermined training set cases and finally selecting mass value of the low mass ions for diagnosing CRC.35. The method as set forth in claim 34 , wherein the step (d) comprises a step (d1) of primarily selecting peaks of the respective cases from among the peaks claim 34 , in which the primarily selected peaks meet a condition that an absolute value of a product of the peak intensities multiplied by factor loadings of the respective peaks exceeds T.36. The method as set forth in claim 35 , wherein the step (d) comprises a step (d2) of secondarily selecting peaks from the primarily selected peaks for the respective cases claim 35 , in which the secondarily selected peaks are commonly present in the cases which are Tor greater percent of the training set cases.37. The method as set forth in claim 34 , wherein the step (d) comprises:{'sub': '1', 'a step (d1) of primarily selecting peaks of the respective cases from among the peaks, in which the primarily selected ...

TIME-OF-FLIGHT MASS SPECTROMETER WITH ACCUMULATING ELECTRON IMPACT ION SOURCE

An accumulating ion source for a mass spectrometer that includes a sample injector () introducing sample vapors into an ionization space () and an electron emitter () emitting a continuous electron beam () into the ionization space () to generate analyte ions. The accumulating ion source further includes first and second electrodes () arranged spaced apart in the ionization space () for accumulating analyte ions substantially therebetween. The first and second electrodes () receive periodic extraction energy potentials to accelerate packets of analyte ions from the ionization space () along a first axis. An orthogonal accelerator () receives the packets of analyte ions along the first axis and periodically accelerates the packets of analyte ions along a second axis substantially orthogonal to the first axis. A time delay between the extraction acceleration and the acceleration of each respective packet of analyte ions provides a proportional mass range of the respective packet of analyte ions. 1. An ion source for a time-of-flight mass spectrometer , the ion source comprising:{'b': 328', '115, 'a sample injector () introducing sample vapors into an ionization space ();'}{'b': 102', '104', '115, 'an electron emitter () providing a continuous electron beam () into the ionization space () to generate one or more packets of analyte ions; and'}{'b': '140', 'an orthogonal accelerator () receiving the packets of analyte ions along the first axis and periodically accelerating the packets of analyte ions along a second axis that is substantially orthogonal to the first axis;'}{'b': 108', '108', '115', '104', '108', '108', '115, 'i': a,', 'b', 'a,', 'b, 'wherein for the purpose of enhancing sensitivity and resolution, first and second electrodes () arranged spaced apart in the ionization space () for accumulating analyte ions within the electron beam (), the first and second electrodes () receiving periodic extraction pulsed potentials to accelerate packets of analyte ions ...

Data Independent Acquisition of Product Ion Spectra and Reference Spectra Library Matching

Systems and methods are used to store an electronic record of all product ion spectra of all detectable compounds of a sample. A plurality of product ion scans are performed on a tandem mass spectrometer one or more times in a single sample analysis across a mass range using a plurality of mass selection windows. All sample product ion spectra of all detectable compounds for each mass selection window are produced. All sample product ion spectra for each mass selection window are received from the tandem mass spectrometer using a processor. All sample product ion spectra for each mass selection window are stored as an electronic record of all detectable compounds of the sample using the processor. The electronic record is used to characterize compounds known at the time the electronic record is stored or to characterize compounds that became known after the electronic record was stored. 1. A system for storing an electronic record of all product ion spectra of all detectable compounds of a sample , comprising: 'performs one or more times a plurality of product ion scans in a single sample analysis across a mass range using a plurality of mass selection windows producing all sample product ion spectra of all detectable compounds for each mass selection window; and', 'a tandem mass spectrometer that'} 'receives said all sample product ion spectra for each mass selection window from the tandem mass spectrometer and stores said all sample product ion spectra for each mass selection window as an electronic record of all detectable compounds of the sample, wherein the electronic record is used to characterize compounds known at the time the electronic record is stored or to characterize compounds that became known after the electronic record was stored.', 'a processor in communication with the tandem mass spectrometer that'}2. The system of claim 1 , wherein each mass selection window of the plurality of mass selection windows has a width greater than 15 amu.3. The system ...

TRIPLE SWITCH TOPOLOGY FOR DELIVERY ULTRAFAST PULSER POLARITY SWITCHING FOR MASS SPECTROMETRY

There is provided a pulser, a time of flight mass spectrometer system comprising the same, and a method of analyzing the ions using the pulser. The pulser comprises a first positive switch for coupling and decoupling a first electrode of the accelerator assembly to a first positive voltage; a first negative switch for coupling and decoupling the first electrode to a first negative voltage; and, a first bipolar switch for alternately coupling and decoupling the first electrode to a third voltage. 1. A pulser for use with an accelerator assembly of a time of flight mass spectrometer system , the pulser comprising:a first positive switch for coupling and decoupling a first electrode of the accelerator assembly to a first positive voltage;a first negative switch for coupling and decoupling the first electrode to a first negative voltage; anda first bipolar switch for alternately coupling and decoupling the first electrode to a third voltage.2. The pulser of claim 1 , further comprising:a second positive switch for coupling and decoupling a second electrode of the accelerator assembly to a second positive voltage;a second negative switch for coupling and decoupling the second electrode to a second negative voltage; anda second bipolar switch for alternately coupling and decoupling the second electrode to a fourth voltage.3. The pulser of claim 2 , wherein the fourth voltage is equal to the third voltage.4. The pulser of claim 2 , further comprising:a third positive switch for coupling and decoupling a third electrode of the accelerator assembly to a third positive voltage; anda third negative switch for coupling and decoupling the third electrode to a third negative voltage.5. The pulser of claim 4 , wherein the first positive voltage equals the second positive voltage claim 4 , which equals the third positive voltage claim 4 , and wherein the first negative voltage equals the second negative voltage claim 4 , which equals the third negative voltage.6. (canceled)7. The ...

TOROIDAL ION TRAP MASS ANALYZER WITH CYLINDRICAL ELECTRODES

A combination of electrodes that are cylindrical and an asymmetric arrangement of cylindrical and planar electrodes are used to create electric fields that compensate for toroidal curvature in a toroidal ion trap, the design lending itself to high precision manufacturing and miniaturization, converging ion paths that enhance detection, higher pressure operation, and optimization of the shape of the electric fields by careful arrangement of the electrodes. 1. A system for trapping ions in a toroidal ion trap having cylindrical electrodes , said system comprised of:a central cylinder having an outer wall that functions as an electrode; anda trapping volume comprised of at least four electrode walls that have asymmetry in length that compensates for toroidal curvature and creates a desired shape in electric fields within the trapping volume by using electrodes that have arcuate and planar surfaces, the at least four electrode walls forming a ring around an outer wall of the central cylinder and having a rectangular cross-section.2. The system as defined in wherein the system is further comprised of:an outside surface of a wall of the central cylinder forming a first electrode wall of the trapping volume;an outer electrode forming a second and opposite electrode wall that is disposed parallel to and spaced apart from the first electrode to form complementary arcuate surfaces, wherein the outer electrode wall has a length that is less than the first electrode wall to create the asymmetry in length of the electrodes; andtwo planar disks forming a third electrode wall and an opposite fourth electrode wall that are perpendicular to the first and second electrode walls of the trapping volume.3. The system as defined in wherein the system is further comprised of a plurality of ejection slits disposed as a ring around a circumference of the central cylinder and through the outer wall claim 2 , wherein the trapping volume is centered on the plurality of ejection slits on the ...

Mass Spectrometric System

There is a tendency of the intensity and the shape of a spectrum to be measured transitioning with the passage of measured time, depending on the volatility and the reactivity of a component. A mass spectrometric system includes: a mass spectrometric unit that measures a specimen and outputs a mass spectrum; and an estimator that has an estimation rule on content information, the estimation rule being assigned to each component and each measurement time. The estimator estimates, based on a mass spectrum output from the mass spectrometric unit, content information on each component of a plurality of components that may be contained in the specimen in accordance with the estimation rule.

MS/MS Data Processing

A method of identifying precursor ion species from their fragments comprises obtaining mass spectra of a plurality of precursor ion species and their fragments to high mass accuracy. The fragment mass spectrum, obtained from fragmentation of multiple precursor ion species, is then scanned it identify pairs of fragments whose combined mass matches the mass of one of the precursor ion species. Once pairs of fragment ion shave been matched to precursor ions, the composite fragment ion spectrum is broken down into portions, one per fragment pair. Analysis continues until no further pairs are identified. A simplified fragment ion spectrum is then reconstructed for each precursor sample ion by stitching together the broken down sections of the composite fragment spectrum. The resultant reconstructed, simplified fragment spectra are sent to a search engine which returns a score—sorted list of likely candidates for each synthetic fragment ion spectrum. 1. A method of conducting mass spectrometric analysis , comprising steps of:sequentially isolating ions of a first and a second precursor ion species, the first and second precursor ion species having different mass-to-charge ratios;combining and storing the isolated ions of the first and second precursor ion species;fragmenting the combined ions to yield product ions; andmass analyzing the product ions.2. The method of claim 1 , wherein the step of sequentially isolating ions of a first and second precursor species is performed by an ion trap.3. The method of claim 2 , wherein the ions of the first precursor ion species are ejected from the ion trap prior to isolating ions of the second precursor ion species.4. The method of claim 1 , wherein the step of mass analyzing the ions is performed by an Orbitrap mass analyzer.5. The method of claim 1 , wherein the step of mass analyzing the ions is performed by a time-of-flight (TOF) mass analyzer.6. The method of claim 1 , wherein the step of fragmenting the combined ions is ...

Multiple Ion Injection in Mass Spectrometry

This invention relates to mass spectrometry that includes ion trapping in at least one of the stages of mass analysis. In particular, although not exclusively, this invention relates to tandem mass spectrometry where precursor ions and fragment ions are analysed. A method of mass spectrometry is provided comprising the sequential steps of: accumulating in an ion store a sample of one type of ions to be analysed; accumulating in the ion store a sample of another type of ions to be analysed; and mass analysing the combined samples of the ions; wherein the method comprises accumulating the sample of the one type of ions and/or the sample of another type of ions to achieve a target number of ions based on the results of a previous measurement of the respective type of ions. 1. A method of mass spectrometric analysis , comprising steps of:generating ions at an ion source;passing a first group of precursor ions to an ion store without substantial fragmentation;fragmenting a second group of precursor ions using a second set of fragmentation parameters to produce a second group of product ions;combining in the ion store the first group of precursor ions with the second group of product ions; andmass analyzing the combined ions to generate a mass spectrum.2. The method of claim 1 , further comprising a step of selectively transmitting a portion of at least one of the first and second groups of precursor ions claim 1 , wherein the step of selectively transmitting includes transmitting only ions within a selected range of mass-to-charge ratios.3. The method of claim 1 , wherein the step of fragmenting the second group of precursor ions is performed by collision induced dissociation.4. The method of claim 1 , further comprising the steps of fragmenting a third group of precursor ions using a third set of fragmentation parameters to produce a third group of product ions and combining the third group of product ions with the second group of product ions and the first group of ...

METHODS FOR DETECTING DIHYDROTESTOSTERONE BY MASS SPECTROMETRY

Provided are methods for determining the amount of dihydrotestosterone (DHT) in a sample using mass spectrometry. The methods generally involve ionizing DHT in a sample and detecting and quantifying the amount of the ion to determine the amount of DHT in the sample. 1. A method for determining an amount of dihydrotestosterone (DHT) in a body fluid sample , the method comprising:(a) ionizing the DHT from the body fluid sample under conditions suitable to produce one or more ions detectable by mass spectrometry;(b) determining the amount of the one or more ions by mass spectrometry; and(c) comparing the determined amount of the one or more ions with an internal standard to determine the amount of the DHT in the body fluid sample.2. The method of claim 1 , wherein the DHT is underivatized.3. The method of claim 1 , further comprising claim 1 , prior to ionizing claim 1 , purifying the DHT using at least one of atmospheric pressure chemical ionization (APCI) claim 1 , solid phase extraction (SPE) claim 1 , high turbulence liquid chromatography (HTLC) claim 1 , and high performance liquid chromatography (HPLC).4. The method of claim 1 , wherein the ionizing in (a) further comprises generating a precursor ion with a mass/charge ratio of 291.10±0.50 and generating one or more fragment ions selected from the group consisting of ions with a mass/charge ratio of 255.20±0.50 and 79.20±0.50.5. The method of claim 1 , wherein the one or more ions determined by mass spectrometry in (c) are selected from the group consisting of ions with mass to charge ratios of 291.10±0.50 claim 1 , 255.20±0.50 claim 1 , and 79.20±0.50.6. The method of claim 1 , wherein the internal standard comprises an isotopically labeled steroid.7. The method of claim 1 , wherein the internal standard comprises 16 claim 1 ,16 claim 1 ,17-ddihydrotestosterone (16 claim 1 ,16 claim 1 ,17-dDHT).8. The method of claim 1 , further comprising ionizing the internal standard to generate one or more standard ions and ...

MASS SPECTROMETER AND MASS SPECTROMETRY METHOD

A mass spectrometer is provided including: a collision chamber of generating fragment ions by superimposingly applying an AC voltage and a first DC voltage between linear multipolar electrodes, and accelerating the fragment ions by applying a second DC voltage between a front stage electrode and a later stage electrode; a mass spectrometer unit of carrying out mass separation of the fragment ions; and a control unit of determining the second DC voltage based on the mass-to-charge ratios such that the rates of the fragment ions in the collision chamber become equal regardless of the mass-to-charge ratios. Herein, the control unit increases the second DC voltage as the mass-to-charge ratios selected by the mass spectrometer unit become larger. This allows the mass window to be wider even when a DC electric field is generated in order to solve a crosstalk drawback, in the movement direction of the molecular ions. 1. A mass spectrometer comprising:a collision chamber including linear multipolar electrodes, and accelerates fragment ions in a direction along the linear multipolar electrodes by superimposingly applying an AC voltage for collision and a first DC voltage between the linear multipolar electrodes, having a molecule ion collide with a neutral molecule to cause collision induced dissociation of the molecule ion and to generate the fragment ions, and applying a second DC voltage between a front stage electrode and a later stage electrode which are divided from each linear multipolar electrode;a mass spectroscopy unit carrying out mass separation of the fragment ions with mass-to-charge ratios, the fragment ions accelerated in the collision chamber; anda control unit determining the second DC voltage based on the mass-to-charge ratios of the fragment ions to be selected in the mass spectroscopy unit such that velocities of the fragment ions in the collision chamber become equal regardless of the mass-to-charge ratios of the fragment ions.2. The mass spectrometer ...

TEMPERATURE-CONTROLLED ELECTROSPRAY IONIZATION SOURCE AND METHODS OF USE THEREOF

Disclosed herein is an electrospray ionization source that provides improved temperature control compared to prior sources. A combination of a continuous flow sample design and the use of a long heat shield combine to improve thermal control and reduce memory effects observed with prior designs. The temperature-controlled source is particularly useful for the study of biomolecules, particularly the study of protein aggregation. 1. A temperature-controlled electrospray ionization source , comprisinga metallic capillary for transport of a sample, the metallic capillary connected to a sample injector at a first end and connected to a spray emitter at a second end, wherein the metallic capillary has a capillary length for the transport of the sample from the first end to the second end of the metallic capillary, and wherein the inner diameter of the spray emitter is substantially the same at both ends of the spray emitter,a metallic heat shield in thermal contact with the spray emitter, wherein the metallic heat shield surrounds the spray emitter and extends along the spray emitter length from the first end to the second end, of the spray emitter anda heating element in thermal contact with the metallic capillary and the metallic heat shield,wherein the metallic capillary is configured to connect to a voltage source, and the sample injector is configured to be in communication with a pump to infuse the sample into the metallic capillary at a flow rate of 0.01 to 100 μL/min.2. The temperature-controlled electrospray ionization source of claim 1 , wherein the sample injector is ungrounded.3. The temperature-controlled electrospray ionization source of claim 1 , wherein the sample injector comprises a sample reservoir claim 1 , and wherein the sample reservoir is not heated.4. The temperature-controlled electrospray ionization source of claim 1 , wherein the sample injector comprises an injection tubing and a syringe claim 1 , and wherein the pump drives the syringe at a ...

Deconvolution and identification algorithms for use on spectroscopic data

A new algorithm is taught for identifying compounds from spectroscopic or mass spectra data, wherein the improved order of operations of the present invention are defined as 1) background noise removal, 2) deconvolution by smoothing peaks, finding peaks and grouping peaks into unknown compounds, 3) preparing correlation values for combinations of unknown compound and target compound pairs, 4) sorting the combinations of unknown compound and target compound pairs by their correlation values, 5) removing complete ions from the mass spectra data using a peak, a retention time, and a retention window, and 6) matching unknown compounds to target compounds such that no target compound appears twice.

Mass Spectrometer Arranged to Perform MS/MS/MS

A mass spectrometer is disclosed comprising an ion trap and a fragmentation device. Ions are fragmented in the ion trap to form first generation fragment ions. The ion trap has a relatively high mass cut-off. The first generation fragment ions are then transferred to a fragmentation device which is arranged to have a substantially lower low mass cut-off. The first generation fragment ions are fragmented within the fragmentation device any may optionally be stored in an ion accumulation region prior to being passed to a mass analyser for subsequent mass analysis. 1. A method of mass spectrometry comprising:accumulating ions within an ion trap;isolating ions of interest within said ion trap;fragmenting at least some of said ions of interest within said ion trap to form a plurality of first fragment ions;transferring at least some of said first fragment ions to a fragmentation device which is arranged either upstream or downstream of said ion trap; andfragmenting at least some said first fragment ions within said fragmentation device to form a plurality of second fragment ions.2. A method as claimed in claim 1 , wherein said ion trap is operated in a mode of operation and has an effective first low mass or mass to charge ratio cut-off and wherein said fragmentation device is operated in a mode of operation and has an effective second low mass or mass to charge ratio cut-off claim 1 , wherein said second low mass or mass to charge ratio cut-off is substantially lower than said first low mass or mass to charge ratio cut-off.3. A method as claimed in claim 1 , wherein said ion trap comprises a different number of electrodes or is structurally different to said fragmentation device so that for ions having a particular mass to charge ratio said ion trap has a first low mass cut-off and said fragmentation device has a second different low mass cut-off.4. A method as claimed in claim 1 , wherein said ion trap comprises a first plurality of electrodes having a first spacing or ...

Methods And Systems For Mass Spectrometry

The present invention relates generally to mass spectrometry. The present invention relates more particularly to methods and systems for use in mass spectrometric identification of a variety of analytes, including high molecular weight species such as proteins. One embodiment of the invention is a method for analyzing an analyte. The method includes nebulizing a suspension of the analyte in a solvent with a surface acoustic wave transducer; and performing mass spectrometry on the nebulized suspension. The surface acoustic wave transducer can be used, for example, to transfer non-volatile peptides and proteins (as well as other analyztes, such as oligonucleotides and polymers) to the gas phase at atmospheric pressure. Nebulization using surface acoustic waves can be conducted in a discontinuous or pulsed mode, similar to that used in MALDI, or in a continuous mode, as in ESI. 1. An analytical system for analyzing an analyte provided as a suspension in a solvent , the analytical system comprising:a mass spectrometer having an input;a surface acoustic wave transducer operatively coupled to the mass spectrometer, so that when the surface acoustic wave transducer is used to nebulize the suspension to provide ionized analyte, at least some of the nebulized suspension enters the input of the mass spectrometer; anda microfluidic device operatively coupled to the surface acoustic wave transducer to provide the suspension to the surface acoustic wave transducer.2. The analytical system according to claim 1 , wherein the microfluidic device is a digital microfluidic device.3. The analytical system according to claim 1 , wherein the microfluidic device is an electrowetting-on-dielectric device.4. The analytical system according to claim 1 , wherein the microfluidic device is a capillary-based device claim 1 , a thin-layer chromatograph-based device claim 1 , a capillary electrophoresis device claim 1 , a PCR device or a microfluidic chemical reactor.5. The analytical system ...

SUBSTANCE IDENTIFICATION METHOD AND MASS SPECTROMETRY SYSTEM USED FOR THE SAME METHOD

An identification probability estimation model, which shows the relationship between the S/N ratios of MSpeaks and the cumulative number of the peaks in the case where MSmeasurements and identifications is performed in descending order of S/N ratio, is created beforehand from the S/N ratios of MSpeaks as well as the results of MSor MSmeasurements and identifications (success or failure) performed for a number of fractionated samples obtained from a predetermined sample. Based on an evaluated value of the identification probability and that of the identification probability increment, an order of priority of MSmeasurements for a plurality of MSpeaks is determined, and an MSmeasurement sequence which gives the maximal expectation value of the number of substances to be identified under a limitation on the number of MSmeasurements or other factors is determined. 1. A substance identification method for identifying a substance contained in each of a plurality of fractionated samples obtained by separating various substances contained in a sample according to a predetermined separation parameter and fractionating the sample , based on MSspectra obtained by MSmeasurements (where n is an integer equal to or greater than two) respectively performed for the plurality of fractionated samples , comprising:{'sup': n-1', 'n-1', 'n', 'n-1', 'n-1', 'n', 'n-1, 'a) an identification probability estimation model creation step, in which an identification probability estimation model is created by using signal-to-noise ratios of MSpeaks found by MSmeasurements for a plurality of fractionated samples obtained from a predetermined sample and results of substance identification based on results of MSmeasurements using each of the MSpeaks as a precursor ion, the model showing a relationship between signal-to-noise ratios of a plurality of MSpeaks originating from a same kind of sample and a cumulative number of peaks successfully identified through a series of MSmeasurements and ...

APPARATUS AND METHOD FOR ELEMENTAL ANALYSIS OF PARTICLES BY MASS SPECTROMETRY

An apparatus for elemental analysis of particles such as single cells or single beads by mass spectrometry is described. The apparatus includes means for particle introduction; means to vaporize, atomize and ionize elements associated with a particle; means to separate the ions according to their mass-to-charge ratio; means to detect the separated ions, means to digitize the output of the means to detect the ions; means to transfer and/or to process and/or record the data output of the means to digitize, having means to detect the presence of a particle in a mass spectrometer; and means to synchronize one of the means for ion detection, data digitization, transfer, processing and recording with the means to detect the presence of a particle. Methods and computer readable code implementing aspects of the apparatus, and for reducing the rates of data generation, digitization, transfer, processing and recording are also described. 119-. (canceled)20. A mass spectrometer for elemental analysis of a particle , the mass spectrometer comprising:a particle introduction system;an inductively-coupled plasma source positioned downstream of the particle introduction system, the inductively-coupled plasma source being configured to produce ions and light emission from staining elements associated with the particle;an ion mass-to-charge ratio analyzer positioned downstream of the inductively-coupled plasma source, the analyzer being configured to separate ions according to their mass-to-charge ratio;a main ion detector for detecting the separated ions and producing data output;a digitizer for digitizing the output;a data transfer channel for transferring the digitized data output;at least one of a data processor and a data recorder to receive the digitized data output;a particle presence detector in the mass spectrometer having an activation corresponding with the detection of the light emission of a particle to be analyzed in the mass spectrometer; anda synchronizer having an ...

METHOD FOR DETERMINING AGE OF GINSENG ROOTS USING CHROMATOGRAMPHY-MASS SPECTROSCOPY

Disclosed is a method for determining the age of ginseng roots using chromatography-mass spectroscopy. It comprises: extracting a metabolome from a ginseng sample; subjecting the metabolome to liquid chromatography-mass spectroscopy (LC/MS) or gas chromatography-mass spectroscopy (GC/MS) to afford an analysis result; converting the LC/MS or GC/MS analysis result to statistically accessible data; and performing a statistical analysis of the data to determine the age of ginseng sample. Based on the metabolite fingerprinting of metabolomics, the method can determine the exact age of ginseng roots from a very small amount of roots within a short time in a non-destructive manner with minimal damage to the roots. 1. A method for determining an age of ginseng roots using chromatography-mass spectroscopy , comprising:extracting a metabolome from a ginseng sample;subjecting the metabolome to liquid chromatography-mass spectroscopy (LC/MS) to afford an analysis result;converting the LC/MS analysis result to statistically accessible data; andperforming a statistical analysis of the data to determine the age of ginseng sample.2. The method of claim 1 , wherein the statistical analysis is principal component analysis (PCA) or hierarchical cluster analysis (HCA).3. The method of claim 1 , wherein the ginseng sample is a taproot and is used to determine the ages of 1- to 3-year-old ginseng roots.4. The method of claim 1 , wherein the ginseng sample is a hairy root and is used to determine the ages of 4- to 6-year-old ginseng roots.5. The method of claim 1 , further comprising executing feature selection to select and analyze an influential and significant metabolite of different ages among the metabolome.6. The method of claim 5 , wherein the ginseng sample is a taproot and the feature selection is executed using PLS-DA (Partial Least Squares-Discriminant Analysis) to select and analyze a metabolite whereby the ages of 4- to 6-year-old ginseng roots can be determined.7. The method ...

SYNCHRONIZATION OF ION GENERATION WITH CYCLING OF A DISCONTINUOUS ATMOSPHERIC INTERFACE

The invention generally relates to methods and devices for synchronization of ion generation with cycling of a discontinuous atmospheric interface. In certain embodiments, the invention provides a system for analyzing a sample that includes a mass spectrometry probe that generates sample ions, a discontinuous atmospheric interface, and a mass analyzer, in which the system is configured such that ion formation is synchronized with cycling of the discontinuous atmospheric interface. 1. A system for analyzing a sample , the system comprising:a mass spectrometry probe that generates sample ions;a discontinuous atmospheric interface; anda mass analyzer;wherein the system is configured such that ion formation is synchronized with cycling of the discontinuous atmospheric interface.2. The system according to claim 1 , wherein the probe comprises a spray emitter and a high voltage source claim 1 , wherein the probe is configured such that the high voltage source is not in contact with spray emitted by the spray emitter.3. The system according to claim 2 , wherein ions are generated by inductive charging.4. The system according to claim 1 , wherein the mass analyzer is for a mass spectrometer or a handheld mass spectrometer.5. The system according to claim 4 , wherein the mass analyzer is selected from the group consisting of: a quadrupole ion trap claim 4 , a rectalinear ion trap claim 4 , a cylindrical ion trap claim 4 , a ion cyclotron resonance trap claim 4 , and an orbitrap.6. The system according to claim 1 , further comprising a source of nebulizing gas.7. The system according to claim 6 , wherein the source of nebulizing gas is configured to provide pulses of gas.8. The system according to claim 7 , wherein the gas pulses are also synchronized with ion formation and cycling of the discontinuous atmospheric interface.9. A method for analyzing a sample claim 7 , the method comprising:generating ions of an analyte in a sample using a mass spectrometry probe; ...

BIOMARKERS FOR PSORIASIS

A group of polypeptides that are modulated in a psoriatic sample as compared to a normal sample is provided. These polypeptides can be used as biomarkers for diagnosis and monitoring treatment of psoriasis. 17-. (canceled)8. A method of managing the treatment of psoriasis in a subject comprising:a) determining first levels of vitronectin and hemopexin in a first plasma sample from the subject;b) determining second levels of vitronectin and hemopexin in a second plasma sample from the subject,wherein said first plasma sample is obtained before the second plasma sample; andc) increasing dosing of a drug to treat the psoriasis if, and only if, an elevated level of vitronectin and a decreased level hemopexin in the second sample compared with the first sample are observed.919-. (canceled)20. The method of wherein the levels are determined by 2D DIGE/mass spectrometry analysis or by immunoassay.2123-. (canceled) This filing claims benefit of U.S. Provisional Patent Application No. 60/751,191, filed Dec. 16, 2005, which is hereby incorporated by reference in its entirety.The present invention relates to biological markers for skin inflammation, more particularly, psoriasis. More specifically, the present invention relates to the use of such markers to diagnose and treat psoriasis, monitor progression of the disease, evaluate therapeutic interventions, and screen candidate drugs in a clinical or preclinical setting.The skin serves as an important boundary between the internal milieu and the environment, preventing contact with potentially harmful antigens. In the case of antigen/pathogen penetration, an inflammatory response is induced to eliminate the antigen. This response leads to a dermal infiltrate that consists predominantly of T cells, polymophonuclear cells, and macrophages (see, e.g., Williams and Kupper (1996) 58:1485-1507.) Normally, this inflammatory response, triggered by the pathogen, is under tight control and will be halted upon elimination of the pathogen. ...

Ion Mobility Spectrometer Including Spaced Electrodes For Filtering

An ion mobility spectrometer has an inlet for an analyte substance opening into an ionization region that produces ions of the substance. Parallel grid electrodes extend laterally across the ion flow path and apply an electric field to the ions that is switchable between a relatively low magnitude alternating field that varies in magnitude over multiple periods and an asymmetric alternating field of sufficiently high magnitude to cause differential mobility effects. A collector collects the passed ions, and an indication of the nature of the analyte substance is produced from the collected ions passed during both the low and high field intervals. Also disclosed is the application of a substantially alternating field between the electrodes, which field varies between a low value and a higher value over a time exceeding that of the alternating period. 1. A spectrometer , comprising:an ionized analyte flow path from a first end of the spectrometer toward an opposite second end of the spectrometer;at least two spaced-apart electrodes located intermediate the first and second ends of the spectrometer;a voltage source oscillator that is arranged and configured to be selectively operable to apply first and second different electrical fields to the electrodes; anda detector apparatus including a collector located proximate the second end of the spectrometer that collects ions passed through the electrical field;wherein the detector apparatus provides an indication of the ions collected by the collector.2. A spectrometer as defined in claim 1 , additionally comprising:a source of clean, dry gas to the first end of the spectrometer that establishes the flow path from the first end of the spectrometer toward the second end of the spectrometer.3. A spectrometer as defined in claim 1 , wherein an analyte is admitted to the spectrometer through an inlet located at the first end of the spectrometer and ionized in an ionization region located adjacent the first end of the ...

Data-Processing System for Chromatograph Mass Spectrometry

In processing chromatographic data, collected by performing a measurement for each of the segments which respectively define time ranges, a system determines whether there is any boundary sandwiched between two temporally continuous segments whose measurement modes are the same and which has the same m/z value designated by an operator to be displayed. If such a boundary exists, the measurement mode common to the two neighboring segments across that boundary is identified, and the system determines whether the parameter values corresponding to that measurement mode are the same. If they are the same, the partial chromatograms corresponding to the two segments show a temporal change in the intensity of the same kind of ion. Accordingly, the two neighboring measurement points across the boundary are connected by interpolation to create a chromatogram with no missing portion. 1. A data-processing system for chromatographic mass spectrometry for creating a chromatogram by processing data repeatedly collected by a chromatograph quadrupole mass spectrometer capable of setting a mass spectrometric measurement condition for each of segments corresponding to a plurality of time ranges continuously or discontinuously set on a time axis , comprising:a) a memory for storing a parameter value specified as a mass spectrometric measurement condition for each of the segments;b) a determiner for retrieving, from the memory, a predetermined parameter value for each of a pair of continuously located segments, and for determining whether the retrieved parameter values are identical; ande) a chromatogram creation processor for creating a chromatogram by connecting partial chromatograms based on the data collected for each of the aforementioned pair of segments under the corresponding measurement condition, when the determiner has determined that the retrieved parameter values are identical.2. The data-processing system for chromatographic mass spectrometry according to claim 1 , wherein ...

SYSTEMS AND METHODS FOR TRANSFER OF IONS FOR ANALYSIS

The invention generally relates to systems and methods for transferring ions for analysis. In certain embodiments, the invention provides a system for analyzing a sample including an ionizing source for converting molecules of a sample into gas phase ions in a region at about atmospheric pressure, an ion analysis device, and an ion transfer member operably coupled to a gas flow generating device, in which the gas flow generating device produces a laminar gas flow that transfers the gas phase ions through the ion transfer member to an inlet of the ion analysis device. 1. A system for analyzing a sample , the system comprising:an ionizing source for converting molecules of a sample into ions in a region at about atmospheric pressure;an ion analysis device; andan ion transfer member operably coupled to a gas flow generating device, wherein the gas flow generating device produces a laminar gas flow that focuses and transfers the gas phase ions through the ion transfer member to an inlet of the ion analysis device.23-. (canceled)4. The system according to claim 1 , wherein the gas flow generating device is a pump.5. The system according to claim 1 , wherein the gas flow generating device is a gas jet of the ionizing source.611-. (canceled)12. The system according to claim 1 , wherein the ion transfer member is a tube.13. The system according to claim 12 , wherein the tube is composed of a rigid material.14. The system according to claim 13 , wherein the rigid material is metal or glass.1516-. (canceled)17. The system according to claim 1 , wherein the ionizing source is selected from the group consisting of: an electrospray ionization source claim 1 , a nano-electrospray ionization source claim 1 , an atmospheric pressure matrix-assisted laser desorption ionization source claim 1 , an atmospheric pressure chemical ionization source claim 1 , a desorption electrospray ionization source claim 1 , an atmospheric pressure dielectric barrier discharge ionization source claim ...

Background Subtraction-Mediated Data-Dependent Acquistion

This application discloses a background subtraction-mediated data dependent acquisition method useful in mass spectrometry analysis. The method includes subtraction of background data from precursor ion spectra of a sample in real-time to obtain mass data of component(s) of interest and performs data-dependent acquisition on the component(s) of interest based on the resultant mass data from the background subtraction step. The present invention also encompasses mass spectrometer systems capable of background subtraction-mediated data-dependent acquisition and computer programs adapted for use in the background-subtraction-mediated data-dependent acquisition. The invention thus provides highly sensitive data-dependent acquisition for minor components of interest in a sample. 154-. (canceled)55. A method of analyzing mass spectrum of a sample , comprising the steps of:acquiring an original mass spectrum of the sample with a first mass spectrometric acquisition function at a chromatographic time point, wherein the original mass spectrum comprises m/z and intensity information of detected ion peaks at the chromatographic time point;defining sections of data in a background data set at the chromatographic time specified in the acquiring step to form defined sections of the background data set; andconducting background subtraction for ions in the original mass spectrum using ion information in the defined sections of the background data set, resulting in a current background-subtracted mass spectrum;wherein the background subtraction occurs in real time before performing an immediate subsequent event of a data-dependent acquisition function of the sample.56. The method of claim 55 , wherein the subtracting comprises substantially removing ion signals of background components from the original mass spectrum claim 55 , thus allowing selective data-dependent acquisitions for components of interest in the sample.57. The method of claim 55 , wherein the defining comprises ...

LINEAR ION TRAP FOR RADIAL AMPLITUDE ASSISTED TRANSFER

Systems, methods and apparatus for radial amplitude assisted transfer (RAAT) in mass spectrometers are provided in which ions for RAAT are accelerated along a longitudinal axis of a mass spectrometer in order to decrease the magnitude of excitation energy of radially excited ions in an ion trap that allows the radially excited ions to exit the ion trap. Hence, the radially excited ions exit the ion trap with reduced radial energy thereby decreasing the exit angle of the radially exited ions from the ion trap. Furthermore, combined forces on the ions are such that radially excited ions exit the ion trap while unexcited ions remain in the ion trap. 132-. (canceled)33. A mass spectrometer for radial amplitude assisted transfer (RAAT) , said mass spectrometer comprising:an ion source;a first axial acceleration region for axially accelerating at least a portion of said ions from said ion source along a longitudinal axis of said mass spectrometer; an entrance region for receiving said ions therein;', 'an exit region for transferring radially exited ions out of said at least one linear ion trap;', 'at least one DC (direct current) electrode for applying a DC potential barrier to prevent unexcited ions from exiting said at least one linear ion trap;', 'a radial excitation region between said entrance region and said exit region for selective radial excitation of said ions trapped in said at least one linear ion trap thereby producing said radially excited ions;', 'a second axial acceleration region for further accelerating said radially excited ions along said longitudinal axis towards said exit region due to a pseudo-potential produced by a reduction in RF field strength, such that said a combined effect of forces on said radially excited ions due to said first axial acceleration region and said second axial acceleration region causes said radially excited ions to overcome said DC potential barrier while said unexcited ions which are not radially excited remain in said at ...

METHOD FOR ENHANCING THE RESOLVING POWER OF ION MOBILITY SEPARATIONS OVER A LIMITED MOBILITY RANGE

A method for raising the resolving power, specificity, and peak capacity of conventional ion mobility spectrometry is disclosed. Ions are separated in a dynamic electric field comprising an oscillatory field wave and opposing static field, or at least two counter propagating waves with different parameters (amplitude, profile, frequency, or speed). As the functional dependencies of mean drift velocity on the ion mobility in a wave and static field or in unequal waves differ, only single species is equilibrated while others drift in either direction and are mobility-separated. An ion mobility spectrum over a limited range is then acquired by measuring ion drift times through a fixed distance inside the gas-filled enclosure. The resolving power in the vicinity of equilibrium mobility substantially exceeds that for known traveling-wave or drift-tube IMS separations, with spectra over wider ranges obtainable by stitching multiple segments. The approach also enables low-cutoff, high-cutoff, and bandpass ion mobility filters. 1. A method of increasing resolving power , feature resolution , specificity , or peak capacity of ion mobility separations comprising:a. propagating a first oscillatory electric field wave in a first direction, which pushes ions through a gas-filled enclosure in the first direction;b. applying a second electric field in a direction opposite to the first direction, which pushes ions in the opposite direction; andc. measuring times of ion drift through a fixed distance inside the enclosure to acquire an ion mobility spectrum over a limited mobility range;wherein the second electric field is time-independent or an oscillatory field wave with parameters differing from those of the first field wave and propagated in the direction opposite to the first direction.2. The method of wherein the parameters of the first field wave and the second field are adjusted to improve separation over the mobility range of desired width and position.3. The method of ...

TANDEM MASS SPECTROMETRY USING COMPOSITE WAVEFORMS

A tandem mass spectrometer system and method are described, where a composite voltage waveform is applied to so as to trap ion having selected m/z. The trapped ions may be subject to collision induced ionization dissociation (CID) by a selectable discrete frequency voltage waveform positioned so as to be in a notch in a broadband waveform. The resultant ion products may be trapped using a second notch having a center frequency corresponding to the ion product to be trapped. The process may be repeated so as to increase the amount of ions produced, or the process a first resultant ion product to yield a second resultant in product, which may be trapped. 1. An apparatus for analyzing ions , comprising:a mass spectrometer, and 'wherein the radio frequency generator is operated to provide a first RF waveform having a controllable frequency range and an amplitude, and a notch in the frequency range having a controllable frequency and amplitude.', 'a radio frequency generator,'}2. The apparatus of claim 1 , wherein the radio frequency generator is operated to provide a second RF waveform having a controllable frequency and amplitude.3. The apparatus of claim 2 , wherein the frequency of the second RF waveform is controlled to corresponds to the notch frequency of the first RF waveform.4. The apparatus of claim 1 , wherein the amplitude of the notch in the first RF waveform is selected so as to avoid dissociation of ions present in the portion of the mass spectrometer to which the RF waveform is applied.5. The apparatus of claim 2 , wherein the first RF waveform and the second RF waveform are applied simultaneously.6. The apparatus of claim 1 , wherein the first RF waveform and the second RF waveform are applied sequentially.7. The apparatus of claim 1 , wherein the first RF waveform is a broadband waveform.8. The apparatus of or claim 1 , wherein notch in the first waveform has a bandwidth of between about 4 kHz and about 8 kHz.9. The apparatus of claim 1 , or claim 1 , ...

EFFICIENT DETECTION OF ION SPECIES UTILIZING FLUORESCENCE AND OPTICS

The present disclosure relates to mass spectrometers and ion mobility spectrometers and methods for utilizing them and, in particular, to efficient detection of large size ionic species by attaching fluorescent agents to such species and utilizing high intensity light and appropriate optics to define a detection plane. A mechanism to detect fluorescence photons with high efficiency is coupled thereto. In an exemplary embodiment, a mass or ion mobility analyzer is utilized to separate fluorescent ionic species in space or time. The ionic species absorb and re-emit photons as they transverse the detection plane. The photons are directed to a photon detector that generates an electric signal that defines time or position (or position and time of intersection) of ionic species with the detection plane. 1. A method of identifying particle properties in an apparatus including an ion conduit and a detection area at or near an end of the ion conduit that is illuminated by light radiation such that fluorescent agents attached to particles emit photons as they pass through the detection area , and further including detectors that measure time and position , comprising:transmitting a particle to which have been attached fluorescent agents through the ion conduit; anddetermining flight time and position information in response to collected measurements of time and position as the particle having attached fluorescent agents travels through the ion conduit.2. An apparatus comprising:means for generating a source of fluorescent particles;means to separate the particles, as a function of time and/or space, which separation results from uniqueness of particle properties;means to illuminate a detection area with light radiation; andmeans to detect the time and/or position of photons emitted by the particles as they cross the detection area.3. The apparatus of claim 2 , where the photons are emitted in any direction from particles as the particles cross the detection area claim 2 , ...

Asymmetric Field Ion Mobility in a Linear Geometry Ion Trap

A linear ion trap is disclosed wherein an asymmetric voltage waveform is applied to electrodes forming the ion trap which causes ions to become radially separated according to their differential ion mobility. An axial potential barrier is arranged at the exit of the ion trap such that ions having a first differential ion mobility and a first radial displacement are retained axially within the ion trap but ions having a second differential ion mobility and a second radial displacement are ejected axially from the ion trap. 1. A linear ion trap comprising:a plurality of electrodes;a device arranged and adapted to apply an asymmetric voltage waveform to one or more of said electrodes so that, in use, ions become radially separated in a first radial direction according to their differential ion mobility; anda device arranged and adapted to form, in use, an axial potential barrier at a position along the length of said linear ion trap so that ions having a first differential ion mobility and a first radial displacement are retained axially within said linear ion trap by said axial potential barrier whereas ions having a second different differential ion mobility and a second different radial displacement emerge axially or are ejected axially from said linear ion trap.2. A linear ion trap as claimed in claim 1 , further comprising a device arranged and adapted to apply a symmetric RF voltage to one or more of said electrodes so that claim 1 , in use claim 1 , ions are confined within said ion trap in a second radial direction by a RF pseudo-potential field.3. A linear ion trap as claimed in claim 2 , wherein said second radial direction is orthogonal to said first radial direction.4. A linear ion trap as claimed in any of claim 2 , or claim 2 , further comprising a device arranged and adapted to maintain an axial DC potential gradient along at least a portion of the axial length of said linear ion trap in a mode of operation in order to urge at least some ions in a first ...

Tandem Time-of-Flight Mass Spectrometer and Method of Mass Spectrometry Using the Same

A tandem time-of-flight mass spectrometer is offered which can perform MS/MS measurements efficiently without sample wastage by ingeniously combining flight time ranges required by precursor ions with measurement times actually taken to measure the precursor ions. The mass spectrometer has an array input means for causing the flight time ranges required by selected precursor ions and the actually taken measurement times in which the precursor ions are measured to be appropriately arrayed in a time-sequential manner such that the flight time ranges and measurement times do not overlap each other.

ION GUIDE WITH DIFFERENT ORDER MULTIPOLAR FIELD ORDER DISTRIBUTIONS ACROSS LIKE SEGMENTS

The present disclosure relates to mass spectrometers and, in particular, multipole ion guides and control units that set the RF and DC potentials at the ion guide to, among other uses, radially confine an ion beam. In an exemplary embodiment, the ion guide includes a plurality of circumferentially arranged elongated rods disposed about a common axis that form a plurality of longitudinally traversing segments. At least a first and a second subset of the segments have an equal number of elongated rods and are physically configured to receive a first and a second set of EMF from a control unit that results in a first multipolar field order distribution and a second multipolar field distribution, respectively, being produced that are different from one another. 1. An apparatus including an ion guide to confine ions radially therethrough , the ion guide having a plurality of circumferentially arranged elongated rods disposed about a common axis and forming a plurality of longitudinally traversing segments , where at least a first and a second subset of the segments have an equal number of elongated rods and are physically configured to receive a first and a second set of RF voltage waveforms that produce a first multipolar field order distribution and a second multipolar field distribution , respectively , that are different from one another.2. The apparatus of claim 1 , wherein the first and second field order distributions includes any one of a dodecapolar claim 1 , decapolar claim 1 , octapolar claim 1 , hexapolar and quadrupolar field distribution.3. The apparatus of claim 1 , wherein the first subset of segments is further configured to receive a first DC potential which is different than a second DC potential received by the second subset of segments.4. The apparatus of claim 3 , wherein the first and second subsets of segments are both comprised of eight rods with the first segment being configured to generate an octapolar field distribution in response to the ...

PEAK DETECTION METHOD FOR MASS SPECTROMETRY AND SYSTEM THEREFOR

To enable more reliable detection of ion peaks from mass spectral data. Ion peaks are detected from mass spectrum by the following steps. A step of acquiring mass spectral data made up of peaks which is acquired using a mass spectrometer, the peaks having mass-to-charge ratio and intensity information, a step of classifying the peaks in the acquired mass spectral data into a plurality of classes according to the intensity of the peaks, and a step of identifying the peaks as ion peaks or noise peaks based on the intensity information of the peaks which have been classified into the plurality of classes. 1. An ion peak detection method of detecting ion peaks from peaks present in mass spectral data , comprising:acquiring mass spectral data made up of peaks having mass-to-charge ratio and intensity information;classifying the peaks in the acquired mass spectral data into a plurality of classes according to peak intensity; anddetecting ion peaks from peaks present in mass spectral data based on the intensity information of the peaks which have been classified into the plurality of classes.2. An ion peak detection method according to claim 1 , wherein the plurality of classes according to the peak intensity include a high intensity class claim 1 , a medium intensity class claim 1 , and a low intensity class.3. An ion peak detection method according to claim 2 , wherein a noise level is determined from peaks which have been classified into the low intensity class claim 2 , and the ion peaks are detected based on the noise level.4. An ion peak detection method according to claim 3 , wherein the noise level is determined from peaks which have been classified into the low intensity class as well as from the peaks which have been classified into the medium intensity class.5. An ion peak detection method according to claim 2 , wherein a peak which is an outlier from the low intensity class is classified into the high intensity class.6. An ion peak detection method according to ...

Electrostatic Trap Mass Spectrometer With Improved Ion Injection

A method of mass spectral analysis in an analytical electrostatic trap () is disclosed. The electrostatic trap () defines an electrostatic field volume and includes trap electrodes having static and non-ramped potentials. The method comprises injecting a continuous ion beam into the electrostatic field volume. 1. A method of mass spectral analysis in an analytical electrostatic trap , wherein the electrostatic trap defines an electrostatic field volume and includes trap electrodes having static and non-ramped potentials , the method comprising:injecting a continuous ion beam into the electrostatic field volume.2. The method as set forth in claim 1 , wherein the injecting step occurs for a period longer than at least 100 ion oscillations within the electrostatic trap.3. The method as set forth in claim 1 , wherein the electrostatic trap includes a drift length claim 1 , and wherein the period is selected from the group consisting of(i) longer than at least 300 ion oscillations within the electrostatic trap;(ii) sufficient to fill the entire drift length of the electrostatic trap with the lightest (m/z) ions; and(iii) sufficient to fill the entire drift length of the electrostatic trap with the heaviest (m/z) ions.4. The method as set forth in claim 1 , further comprising:effecting motion of the trapped ions.5. The method as set forth in claim 4 , further comprising:forming an electrostatic trapping field having reflecting field regions spaced by a field-free region, wherein the field provides isochronous ion oscillations in the first X-direction and indefinite trapping of moving ions by spatial focusing in the second transverse Y-direction, and wherein the field is substantially extended in the third Z-direction, (i) a pulsed ion excitation;', '(ii) a pulsed removal of ion portion;', '(iii) a resonant excitation of ions within a limited span of oscillation frequencies;', '(iv) a pulsed expansion or contraction of the trapping field; and', '(v) pulsed repulsion of ion ...

Method Of Deadtime Correction In Mass Spectrometry

A method of improving the fidelity of m/z dependent measurements for a species of interest in an analyte in a mass spectrometer, which method comprises the steps of acquiring raw data produced in a mass spectrometer, identifying a region within the raw data that relates to the species of interest, forming a mathematical model to calculate the joint probability distribution of the parameters effecting the m/z dependent measurements, analytically obtaining samples from the joint probability distribution to produce corrected or refined m/z dependent measurements with associated uncertainties. 1. A method of improving the fidelity of m/z dependent measurements for a species of interest in an analyte in a mass spectrometer , which method comprises the steps of acquiring raw data produced in a mass spectrometer , identifying a region within the raw data that relates to the species of interest , forming a mathematical model to calculate the joint probability distribution of the parameters effecting the m/z dependent measurements , analytically obtaining samples from the joint probability distribution to produce corrected or refined m/z dependent measurements with associated uncertainties.2. A method as claimed in claim 1 , wherein the method corrects for deadtime.3. A method as claimed in claim 1 , wherein the mass spectrometer utilises a TDC detector.4. A method as claimed in claim 1 , wherein the mass spectrometer utilises an ADC detector.5. A method according to any claim 1 , wherein said method further comprises providing an analyte to a mass spectrometer and analysing said analyte in the mass spectrometer6. A method according to wherein the mass spectrometer is a time of flight [TOF] mass spectrometer and the m/z dependent measurements are flight time and/or arrival time measurements.7. A method according to wherein the step of analytically obtaining samples from the joint probability distribution is performed using a Markov chain monte carlo algorithm.8. A method ...

METHOD AND DEVICE FOR INCREASING THE THROUGHPUT IN TIME-OF-FLIGHT MASS SPECTROMETERS

The invention relates to a method for increasing the throughput in time-of-flight mass spectrometers as well as a device for conducting the method. 1. A method for increasing the throughput in time-of-flight mass spectrometers , whereinthe individual ion packets, which the extractor admits into the drift zone, are deflected inside the drift zone by means of at least one deflecting device disposed in the drift zone, for the generation of electric fields that vary in time and intensity, andthe deflection is detected as additional information together with the flight time of the ions by means of a detector.2. The method according to claim 1 , further characterized in that the electric field is selected such that the site at which the deflected ion packet strikes the detector is pre-determined.3. The method according to claim 1 , further characterized in that the time variability of the electric field is coordinated with the admission control of the extractor.4. The method according to claim 1 , further characterized in that the intensity of the electric field is selected such that a pre-determined deflection is ensured for each individual ion packet.5. The method according to claim 1 , further characterized in that the electric field acts on the ion packets within the drift zone in the direct vicinity of the extractor claim 1 , and electric fields do not act in the further course of the drift zone.6. The method according to claim 1 , further characterized in that the deflecting device that generates the electric field is disposed along the x or y-axis or along the x and y-axes claim 1 , the z-axis running along the direction of the drift zone.7. The method according to claim 6 , further characterized in that the deflecting device that generates the electric field is disposed along the x-axis and the y-axis in different regions of the drift zone.8. The method according to claim 1 , further characterized in that the intensity of the electric field is selected such that ...

MASS SPECTROMETRY FOR MULTIPLEXED QUANTITATION USING MULTIPLE FREQUENCY NOTCHES

A method of performing a mass spectrometry analysis includes labeling each of a plurality of samples with a corresponding chemical tag; forming a first plurality of ions from molecules in the samples; selecting a subset of the first plurality of ions, the subset being selected by isolating ions of the first plurality of ions in a plurality of ranges of mass-to-charge; forming a second plurality of ions by fragmenting ions in the subset; and measuring information indicative of a quantity of each of the plurality of chemical tags present in each of the plurality of samples. 1. A method of performing a mass spectrometry analysis , the method comprising:labeling each of a plurality of samples with a corresponding chemical tag selected from a plurality of chemical tags;forming a first plurality of ions from molecules in the samples;selecting a subset of the first plurality of ions;forming a second plurality of ions by fragmenting ions in the subset; andmeasuring a plurality of reporter ions indicative of a relative quantity of each of the plurality of chemical tags present in each of the plurality of samples,wherein selecting the subset is based, at least in part, on an estimated probability that the subset will generate the plurality of reporter ions.2. The method of claim 1 , wherein selecting the subset is further based on a property of at least a portion of the first plurality of ions selected from the group consisting of an intensity claim 1 , a mass claim 1 , a charge claim 1 , a signal-to-noise ratio claim 1 , a mass-to-charge ratio claim 1 , and a difference in mass-to charge-ratio between at least two of the first plurality of ions.3. The method of claim 1 , wherein selecting the subset of the first plurality of ions comprises ranking at least a portion of the first plurality of ions.4. At least one computer readable medium encoded with instructions that claim 1 , when executed claim 1 , perform a method claim 1 , the method comprising:determining the mass-to- ...

METHOD FOR THE DIELECTRIC BARRIER ELECTROSPRAY IONIZATION OF LIQUID SAMPLES AND FOR THE SUBSEQUENT MASS SPECTROMETRIC ANALYSIS OF THE GENERATED SAMPLE IONS

The invention relates to a method for the dielectric barrier electrospray ionization of liquid samples and for the subsequent mass spectrometric analysis of the generated sample ions, in which the respective liquid sample is conducted in a capillary-shaped feed channel, the surrounding wall of which comprises on the outer side, spaced from the free end, an electrode which is separated from the wall by a separating layer made of a dielectric material, wherein at a distance from the free end of the feed channel an inlet of a mass spectrometer forming a counter electrode is arranged, creating an ion formation clearance, the formed ions reaching an openable and closable trap of the mass spectrometer through the inlet, wherein a square-wave voltage is applied between the electrode and the inlet for generating the sample ions and the trap of the mass spectrometer is alternately opened and closed, and wherein the sample ions reaching the trap of the mass spectrometer are analyzed in the mass spectrometer. The aim of the invention is to only have positive or negative sample ions reach the mass spectrometer while preserving the advantages of applying a square-wave voltage. The aim is achieved by applying an asymmetrical square-wave voltage between the electrode and the inlet, in which voltage the frequency ratio of the positive and negative polarities is different. 1. Method for dielectric barrier electrospray ionization of liquid samples and for subsequent mass spectrometric analysis of the generated sample ions , in which method the liquid sample , in each instance , is conducted in a capillary-shaped feed channel , the surrounding wall of which comprises , on the outer side , at a distance from the free end , an electrode separated from the wall by a separating layer composed of a dielectric material , wherein an inlet of a mass spectrometer , forming a counter-electrode , is disposed at a distance from the free end of the feed channel , with the creation of an ion ...

Method Of Processing Multidimensional Mass Spectrometry

A method of processing multidimensional data acquired from analytical equipment, which method comprises the steps of providing raw multidimensional data that includes mass spectrometric analytical data obtained from a sample, conducting a first processing step of identifying regions of interest within the raw multidimensional data and conducting a second processing step of refining the raw multidimensional data associated with the one or more regions of interest using peak detection of the mass spectrometric analytical data, wherein the first processing step is conducted using a first processing means and/or a first software program and the second processing step is conducted using a second processing means and/or a second software program, whereby the first and second processing steps are capable of independent implementation. 1. A method of processing multidimensional data acquired from analytical equipment , which method comprises the steps of providing raw multidimensional data that includes mass spectrometric analytical data obtained from a sample , conducting a first processing step of identifying regions of interest within the raw multidimensional data and conducting a second processing step of refining the raw multidimensional data associated with the one or more regions of interest using peak detection of the mass spectrometric analytical data , wherein the first processing step is conducted using a first processing means and/or a first software program and the second processing step is conducted using a second processing means and/or a second software program , whereby the first and second processing steps are capable of independent implementation.2. A method according to claim 1 , wherein the one or more regions of interest comprises a plurality of regions of interest claim 1 , the method further comprising filtering the regions of interest before the refining step.3. A method according to claim 2 , wherein the first processing step comprises filtering ...

Method Of Deadtime Correction in Mass Spectrometry

A method of improving the fidelity of m/z dependent and/or intensity measurements for a species of interest in an analyte to correct for hardware limitations within a mass spectrometer, which method comprises the steps of acquiring raw data produced by a mass spectrometer, identifying a region within the raw data that relates to the species of interest, forming a mathematical model to calculate the joint probability distribution of the parameters effecting the m/z dependent and/or intensity measurements, analytically obtaining samples from the joint probability distribution to produce corrected or refined m/z dependent and/or intensity measurements with associated uncertainties. 1. A method of improving the fidelity of m/z dependent and/or intensity measurements for a species of interest in an analyte to correct for hardware limitations within a mass spectrometer , which method comprises the steps of acquiring raw data produced by a mass spectrometer , identifying a region within the raw data that relates to the species of interest , forming a mathematical model to calculate the joint probability distribution of the parameters effecting the m/z dependent and/or intensity measurements , analytically obtaining samples from the joint probability distribution to produce corrected or refined m/z dependent and/or intensity measurements with associated uncertainties.2. A method according to wherein said method further comprises providing an analyte to a mass spectrometer and analysing said analyte in the mass spectrometer3. A method according to wherein the mass spectrometer is a time of flight [TOF] mass spectrometer and the m/z dependent measurements are flight time and/or arrival time measurements.4. A method according to wherein the step of analytically obtaining samples from the joint probability distribution is performed using a Markov chain Monte Carlo algorithm.5. A method according to wherein the thus obtained samples are used to produce the required inferences ...

NANOPHOTONIC PRODUCTION, MODULATION AND SWITCHING OF IONS BY SILICON MICROCOLUMN ARRAYS

The production and use of silicon microcolumn arrays that harvest light from a laser pulse to produce ions are described. The systems of the present invention seem to behave like a quasi-periodic antenna array with ion yields that show profound dependence on the plane of laser light polarization and the angle of incidence. By providing photonic ion sources, this enables enhanced control of ion production on a micro/nano scale and direct integration with miniaturized analytical devices. 1. A mass spectrometry system for controlling fragmentation and ion production from a sample , the system comprising:a pulsed laser source;a polarizer capable of plane polarizing radiation from the laser source and rotating the angle of plane polarized radiation from the laser source between an angle of s-polarized radiation and an angle of p-polarized radiation;an array for receiving the sample, the array being made from a semiconductor material and having quasi-periodic columnar structures; anda mass spectrometer for detecting ions formed from the sample;wherein when the radiation from the pulsed laser source is rotated so that when the angle of the plane polarization of the laser source approaches the angle of p-polarized radiation, the fragmentation and ion production from the sample is increased, and when the angle of the plane polarization of the laser source approaches the angle of s-polarized radiation, the fragmentation and ion production from the sample is decreased.2. The system of claim 1 , wherein the semiconductor material is selected from the group consisting of: p-type or n-type silicon claim 1 , germanium and gallium arsenide at various doping levels.3. The system of claim 1 , wherein the array is a laser-induced silicon microcolumn array.4. The system of claim 3 , wherein the columnar structures have a height of about 1 to 5 times the wavelength of the radiation claim 3 , a diameter equal to about one wavelength of the radiation claim 3 , and a lateral periodicity of ...

CORRECTING TIME-OF-FLIGHT DRIFTS IN TIME-OF-FLIGHT MASS SPECTROMETERS

A method of correcting time-of-flight drift in a mass spectrometer by identifying mass spectral peaks of ions in spectra, detecting ions having substantially the same mass across spectra, determining a time-of-flight drift of the detected ions, and correcting the time-of-flight drift of the detected ions by applying a correction factor to each respective time-of-flight. 1. A method of correcting time-of-flight drift in a mass spectrometer , the method comprising:identifying mass spectral peaks of ions in spectra;detecting ions having substantially the same mass across spectra;determining a time-of-flight drift of the detected ions; andcorrecting the time-of-flight drift of the detected ions by applying a correction factor to each respective time-of-flight.2. The method of claim 1 , wherein detecting ions having substantially the same mass across spectra comprises:representing each identified mass spectral peak as a probability distribution;determining at least one of a time-of-flight and an intensity of each respective mass spectral peak;assigning a confidence level for a time-of-flight of the ion; andassigning the same mass to ions of respective mass spectral peaks having overlapping confidence levels.3. The method of claim 1 , wherein a TOF confidence interval is inversely proportional to the square root of the spectral peak area.4. The method of claim 1 , wherein detecting ions having substantially the same mass across spectra comprises:identifying first and second spectral peaks corresponding to first and second ions;determining a first time-of-flight and a second time-of-flight of the respective spectral peaks;assigning an inner threshold for the spectral peaks; andassigning the same mass to the first and second ions when the first and second time-of-flights have an absolute difference less than the inner threshold.5. The method of claim 4 , further comprising:assigning an outer threshold for the spectral peaks; andexcluding any ions having a time-of-flight ...

MASS SPECTROMETRY ASSAY FOR CONGENITAL ADRENAL HYPERPLASIA

Methods are provided for detecting the amount of one or more CAH panel analytes (i.e., pregnenolone, 17-OH pregnenolone, progesterone, 17-OH progesterone, dehydroepiandrosterone (DHEA), androstenedione, testosterone, deoxycorticosterone, 11-deoxycortisol, and cortisol) in a sample by mass spectrometry. The methods generally involve ionizing one or more CAH panel analytes in a sample and quantifying the generated ions to determine the amount of one or more CAH panel analytes in the sample. In methods where amounts of multiple CAH panel analytes are detected, the amounts of multiple analytes are detected in the same sample injection. 1. A method for determining in a sample , by mass spectrometry , the amounts of at least three analytes selected from the group consisting of pregnenolone , 17-OH pregnenolone , progesterone , 17-OH progesterone , dehydroepiandrosterone (DHEA) , androstenedione , testosterone , 11-deoxycortisol , deoxycorticosterone , and cortisol , the method comprising:subjecting the sample to an ionization source under conditions suitable to produce one or more ions detectable by mass spectrometry from each of the analytes, wherein the analytes are not derivatized prior to ionization;determining, by tandem mass spectrometry, the amounts of the one or more ions from each of the analytes; andusing the determined amounts of the one or more ions to determine the amount of each of the analytes in the sample.2. The method of claim 1 , wherein the analytes comprise cortisol claim 1 , androstenedione and 17-OH progesterone.3. The method of claim 1 , wherein the analytes comprise cortisol claim 1 , androstenedione and progesterone.4. The method of claim 1 , wherein the analytes comprise cortisol claim 1 , deoxycorticosterone and 17-OH progesterone.5. The method of claim 1 , wherein the analytes comprise testosterone claim 1 , androstenedione and dehydroepiandrosterone (DHEA).6. The method of claim 1 , wherein the analytes comprise four or more analytes.7. The ...

METHODS OF RESOLVING ARTIFACTS IN HADAMARD-TRANSFORMED DATA

Apparatus and methods are disclosed for processing data transformed according to an invertible transform (e.g., using a Hadamard transform) multiplexing scheme. In one example of the disclosed technology, a computer-implemented method includes generating transformed data by applying a Hadamard transform to intensity data generated by modulating input of analytes into a mass spectrometer according to a pseudorandom sequence (PRS). The exemplary method further includes identifying at least one pair of symmetric intensity peaks in the transformed data based on the PRS and removing data associated with the pair of symmetric peaks from the transformed data to produce modified data, which can be used to identify, characterize, and/or quantify the composition of the sample. In some examples, the exemplary method further includes validating peaks in the transformed data based on comparing the location of peaks in the untransformed intensity data. 1. A method of resolving data artifacts in Hadamard transformed data , the method comprising:identifying at least one pair of symmetric intensity peaks in the Hadamard transformed data using a pseudorandom sequence (PRS) that was used to generate the Hadamard transformed data; andfiltering the identified pair of symmetric peaks from the transformed data, thereby producing filtered data.2. The method of claim 1 , further comprising removing negative data from the filtered data.3. The method of claim 1 , further comprising validating one or more peaks in the filtered data using the PRS.4. The method of claim 3 , further comprising filtering one or more peaks in the filtered data that were designated as not valid using the PRS.5. The method of claim 3 , wherein the validating further comprises:if a bit of the PRS corresponding to a respective time segment bin is a 1, then confirming existence of a peak in untransformed data associated with its respective time segment bin.6. The method of claim 3 , wherein the validating further ...

ION DETECTION AND PARAMETER ESTIMATION FOR N-DIMENSIONAL DATA

Methods and apparatus for LC/IMS/MS analysis involve obtaining noisy raw data from a sample, convolving the data with an artifact-reducing filter, and locating, in retention-time, ion mobility, and mass-to-charge-ratio dimensions, one or more ion peaks of the convolved data. 124-. (canceled)25. A method for analyzing a sample , comprising:performing processing to analyze the sample, said processing including performing chromatographic separation, ion mobility spectrometry and mass spectrometry with respect to said sample;obtaining, in accordance with said processing to analyze said sample, noisy raw data comprising a set of data elements each associating an ion-count intensity with at least three dimensions, wherein the noise is associated with ion-peak artifacts, wherein the at least three dimensions include a retention time dimension, an ion-mobility dimension, and a mass-to-charge ratio dimension;convolving at least some of the noisy raw data with an artifact-reducing filter associated with a matrix having the same number of dimensions as the noisy raw data thereby obtaining a convolved set of the at least some of the noisy raw data; andlocating one or more ion peaks in the convolved set of the at least some of the noisy raw data.26. The method of claim 25 , wherein said convolving is performed with respect to selected one or more portions of the noisy raw data associated with locations of ion peaks in a convolved set of collapsed data elements.27. The method of claim 26 , wherein the one or more portions each include restricted ranges of the noisy raw data in the retention time and mass-to-charge ratio dimensions and an unrestricted range in the ion-mobility dimension claim 26 , and wherein the restricted ranges of each portion are substantially centered on a located ion peak.28. An apparatus comprising:a plurality of analytical modules; performing processing to analyze a sample, said processing including using said plurality of analytical modules to perform ...

M/Z Targeted Attenuation on Time of Flight Instruments

A method of mass spectrometry is disclosed comprising separating ions according to one or more physico-chemical properties. Ions which are onwardly transmitted to a Time of Flight mass analyser are controlled by attenuating ions which would otherwise be transmitted to the Time of Flight mass analyser and cause saturation of an ion detector and which have been determined or which are predicted to have a relatively high intensity. 1. A method of mass spectrometry comprising:separating ions according to one or more physico-chemical properties;providing a Time of Flight mass analyser; andcontrolling ions which are onwardly transmitted to said Time of Flight mass analyser by attenuating first ions having a first physico-chemical property within one or more first ranges which would otherwise be transmitted to said Time of Flight mass analyser and which have been determined to have or which are predicted to have a relatively high intensity.2. A method as claimed in claim 1 , wherein said step of controlling ions which are onwardly transmitted to said Time of Flight mass analyser further comprises attenuating first ions having a second physico-chemical property within one or more second ranges.3. A method as claimed in or claim 1 , wherein a two dimensional or multidimensional separation is performed wherein ions are simultaneously separated according to two different physico-chemical properties and wherein first ions which are attenuated have both a first physico-chemical property within one or more first ranges and a second physico-chemical property within one or more second ranges.4. A method as claimed in or claim 1 , wherein a plurality of one dimensional or single dimensional separations are performed in series or sequentially wherein ions are initially separated according to a first physico-chemical property and wherein first ions which are attenuated have a first physico-chemical property within one or more first ranges and wherein said ions are then subsequently ...

METHODS FOR DETECTING VITAMIN C BY MASS SPECTROMETRY

Provided are methods for determining the amount of vitamin C in a sample using mass spectrometry. The methods generally involve ionizing vitamin C in a sample and detecting and quantifying the amount of the ion to determine the amount of vitamin C in the sample. 1. A method for determining an amount of vitamin C in a test sample , the method comprising:(i) ionizing vitamin C from the test sample and an internal standard to generate at least one vitamin C ion and at least one internal standard ion detectable by mass spectrometry, wherein the at least one vitamin C ion comprises one or more ions selected from the group consisting of ions with a mass/charge ratio of 175.05±0.5, 114.85±0.5, and 86.85±0.5; and(ii) comparing amounts of the ions generated in (i) for respectively the at least one vitamin C ion and the at least one internal standard ion to determine the amount of vitamin C in a test sample from the comparison.2. The method of claim 1 , wherein the internal standard comprises C-L-ascorbic acid.3. The method of claim 1 , wherein the at least one internal standard ion comprises one or more ions selected from the group consisting of ions with a mass/charge ratio of 181.10±0.50 claim 1 , 119.10±0.50 claim 1 , and 90.00±0.50.4. The method of claim 1 , wherein the ionizing in (i) further comprises generating one or more precursor ion of the vitamin C with a mass/charge ratio of 175.05±0.5 claim 1 , and generating one or more fragment ions of the vitamin C selected from the group consisting of ions with a mass/charge ratio of 114.85±0.5 and 86.85±0.5.5. The method of claim 1 , wherein the ionizing in (i) further comprises generating one or more precursor ion of the internal standard with a mass/charge ratio of 181.10±0.50 claim 1 , and generating one or more fragment ions of the internal standard selected from the group consisting of ions with a mass/charge ratio of 119.10±0.50 claim 1 , and 90.00±0.50.6. The method of claim 1 , further comprising adding a ...

Vitamin d metabolite determination utilizing mass spectrometry following derivatization

The invention relates to the detection of vitamin D metabolites. In a particular aspect, the invention relates to methods for detecting derivatized vitamin D metabolites by mass spectrometry.

METHOD COMPUTER PROGRAM AND SYSTEM TO ANALYZE MASS SPECTRA

A method, computer program and system to identify peaks generated by different physical ions in a solution including substances by analyzing mass and intensity coordinates of all peaks in a set of mass spectra measured with errors for a certain concentration c of the solution is here disclosed. The peaks in different mass spectra are associated to a same ion if they are sufficiently ‘close’ according to specific discrimination criteria that go beyond the proximity of mass values. 1. A method performed on a computer to identify peaks generated by different physical ions in a solution including a certain concentration of at least one substance by analyzing mass and intensity coordinates of all peaks , measured with errors , coming from a set of mass spectra data files , the method comprising ,reading coordinates of a peak from a first mass spectrum data file in the set of mass spectra data files;selecting from each the mass spectrum data file other than the first mass spectrum data file, peak coordinates which are close to the read peak coordinates from the first mass spectrum, by computing a distance function qualifying a proximity between two peaks;determining a highest scored sequence of peaks comprising the read peak from the first mass spectrum and one selected peak from each other mass spectrum by computing a scoring function qualifying a likelihood that all peaks in the sequence have been generated by a same type of physical ion;storing the highest scored sequence only if a ratio of the highest scored sequence to a second highest scored sequence is above a limit ratio; andreading coordinates of one other peak from the first mass spectrum data file and executing the preceding selecting, determining and storing steps until all the peaks from the mass spectrum are read, each of the resulting sequences containing peaks, one for each mass spectrum, identified as being generated by a same physical ion.2. The method of further comprising:suppressing among the stored ...

IONIZATION DEVICE, MASS SPECTROMETER INCLUDING THE IONIZATION DEVICE, AND IMAGE GENERATION SYSTEM INCLUDING THE IONIZATION DEVICE

An ionization device includes a support configured to support a sample, a probe configured to determine a portion of the sample to be ionized, an irradiation unit configured to emit laser light and is disposed to irradiate with the laser light a liquid bridge portion between the sample and the probe, an extract electrode configured to extract ions obtained by ionizing the sample, a liquid supply unit configured to supply a liquid to a region of the sample, and voltage application units configured to generate an electric field between a portion of the probe that is in contact with the liquid bridge portion and the extract electrode. 1. An ionization device , comprising:a support configured to support a sample;a probe configured to determine a portion of the sample to be ionized;an irradiation unit configured to emit laser light, the irradiation unit being disposed to irradiate with the laser light a liquid bridge portion between the sample and the probe;an extract electrode configured to extract ions obtained by ionizing the sample;a liquid supply unit configured to supply a liquid to a region of the sample; andan electric field generation unit configured to generate an electric field between a portion of the probe that is in contact with the liquid bridge portion and the extract electrode.2. The ionization device according to claim 1 , further comprising:a vibration unit configured to cyclically change a relative distance between the probe and the sample,wherein while the liquid bridge portion is not formed as the probe and the sample are spaced apart from each other, the liquid on one of the probe and the sample is not irradiated with the laser light, andwherein while the liquid bridge portion is formed as the probe and the sample are close to each other, the liquid bridge portion is irradiated with the laser light.3. The ionization device according to claim 1 , further comprising:a drive unit configured to drive the laser light irradiation unit to emit pulsed ...

Time-of-Flight Mass Spectrometer and Method of Controlling Same

A flight-of-time mass spectrometer is offered which can provide a variable range of collisional energies that can be made wider than heretofore. Also, a method of controlling this spectrometer is offered. The spectrometer has an ion source, a first mass analyzer, an ion gate, a potential lift, a collisional cell, a second mass analyzer, a detector, and a potential control portion for controlling the potential on the potential lift. When the precursor ions selected by the ion gate enter the potential lift, the potential control portion sets the potential on the conductive box at V. When the potential on the potential lift is varied, the potential control portion varies the potential on the potential lift from Vto Vwhile precursor ions are traveling through the potential lift. 1. A time-of-flight mass spectrometer comprising:an ion source for ionizing a sample to thereby produce ions;a first mass analyzer for separating the produced ions according to flight time corresponding to mass-to-charge ratio;an ion gate for selecting precursor ions from ions separated and selected by the first mass analyzer;a conductive box through which the precursor ions selected by the ion gate pass;a collisional cell for fragmenting the precursor ions passed through the conductive box into product ions;a second mass analyzer for separating the precursor ions passed through the collisional cell and the product ions generated in the collisional cell according to flight time corresponding to mass-to-charge ratio;a detector for detecting ions separated by the second mass analyzer; anda potential control portion for controlling the electric potential on the conductive box;wherein, when the precursor ions enter the conductive box, the potential control portion sets the potential on the conductive box at a first potential; andwherein, when the potential on the conductive box is varied, the potential control portion varies the potential on the conductive box from the first potential to a second ...

MATRIX ADDITIVE FOR MASS SPECTROMETRY

The present invention provides a novel compound that makes it possible to improve ionization efficiency of hydrophobic peptide. 5-alkoxy-2- or -3-hydroxybenzoic acid represented by the following formula (I): 18-. (canceled)10. (canceled)11. The mass spectrometry method according to claim 9 , wherein the mixture further contains a hydrophilic substance.12. (canceled)13. The mass spectrometry method according to claim 9 , wherein the matrix is selected from the group consisting of α-cyano-4-hydroxycinnamic acid claim 9 , 2 claim 9 ,5-dihydroxybenzoic acid claim 9 , sinapic acid claim 9 , and 1 claim 9 ,5-diaminonaphthalene.14. The mass spectrometry method according to claim 9 , wherein the hydrophobic substance is a hydrophobic peptide.15. The mass spectrometry method according to claim 9 , wherein the hydrophobic substance has an HPLC Index of 100 to 10 claim 9 ,000.16. The mass spectrometry method according to claim 9 , wherein the additive is used in a molar ratio of 0.0.1 to 50 moles per mole of the matrix.17. The mass spectrometry method according to claim 9 ,wherein the crystal for mass spectrometry has a substantially circular shape with an average diameter of 1 to 3 mm on a surface in contact with the target plate for mass spectrometry; andwherein 50 mol % or more of the hydrophobic substance is localized in the outer peripheral region of the substantially circular shape, the average diameter is an average outer diameter of the outer peripheral region, and the outer peripheral region has an average inner diameter that is 80% or more of the average outer diameter.18. The mass spectrometry method according to claim 9 , wherein the solvent is at least one selected from the group consisting of acetonitrile (ACN) claim 9 , trifluoroacetic acid (TFA) claim 9 , methanol (MeOH) claim 9 , ethanol (EtOH) claim 9 , tetrahydrofuran (THF) claim 9 , dimethylsulfoxide (DMSO) claim 9 , and water. This application is a Divisional Application of Patent Application No. 13/594, ...

PROFILE DIAGNOSTICS IN PERSONALIZED DERMATOLOGY, DERMATOPATHOLOGY AND COSMETICS

The present disclosure relates generally to methods and apparatus for profiling the components and associated conditions in a dermatological sample, and preparing personalized cosmetics or treatments, In particular, the present disclosure relates to the use of surface desorption ionization-mass spectrometry apparatus and omics methodologies to profile or “fingerprint” dermatological samples, such as skin and hair samples, for personalized cosmetics. In particular, the method and apparatus can allow real time mass spectrometry—based lipidomics and metabolomics to phenotype skin and hair samples for molecular personalized cosmetics. 1. A method of analyzing a dermatological sample comprising:(i) generating sample, ions from the dermatological sample using a surface desorption ionization source;(ii) receiving the ions into a mass spectrometer;(iii) identifying at least one dermatological related sub-population, group or phenotype in the sample;(iv) comparing the identified dermatological related sub-population, group or phenotype in the sample to one or more known dermatological profiles; and(v) identifying at least one condition in the dermatological sample,2. The method of wherein the dermatological sample is skin claim 1 , hair claim 1 , or a secretion.3. The method of wherein the dermatological sample is obtained from a subject.4. The method of wherein the sample ions are generated in situ directly from the subject.5. The method of wherein the surface desorption ionization source operates by a technique selected from the group consisting of electrospray ionization claim 1 , nano-electrospray ionization claim 1 , matrix-assisted laser desorption ionization claim 1 , atmospheric pressure chemical ionization claim 1 , desorption electrospray ionization claim 1 , atmospheric pressure dielectric barrier discharge ionization claim 1 , atmospheric pressure low temperature plasma desorption ionization claim 1 , laser-assisted electrospray ionization claim 1 , and ...

MULTI-REFLECTION MASS SPECTROMETER

A multi-reflection mass spectrometer comprising two ion-optical mirrors, each mirror elongated generally along a drift direction (Y), each mirror opposing the other in an X direction and having a space therebetween, the X direction being orthogonal to Y; the mass spectrometer further comprising one or more compensation electrodes each electrode being located in or adjacent the space extending between the opposing mirrors; the compensation electrodes being configured and electrically biased in use so as to produce, in at least a portion of the space extending between the mirrors, an electrical potential offset which: (i) varies as a function of the distance along the drift length, and/or; (ii) has a different extent in the X direction as a function of the distance along the drift length. In a preferred embodiment the period of ion oscillation between the mirrors is not substantially constant along the whole of the drift length. 1. (canceled)2. A multi-reflection mass spectrometer comprising two ion-optical mirrors , each mirror elongated generally along a drift direction (Y) , each mirror opposing the other in an X direction and having a space therebetween , the X direction being orthogonal to the Y direction;the spectrometer further comprising an ion injector located at one end of the ion-optical mirrors in the drift direction, arranged so that in use it injects ions such that they oscillate between the ion-optical mirrors, reflecting from one mirror to the other generally orthogonally to the drift direction a plurality of times, turning the ions within each mirror whilst the ions proceed along the drift direction Y;wherein a distance between subsequent points at which the ions turn in the Y-direction changes monotonously with Y during at least a part of the motion of the ions along the drift direction.3. The multi-reflection mass spectrometer of in which the mass spectrometer further comprises one or more compensation electrodes each electrode being located in or ...

Ion Trap Mass Spectrometer

An electrostatic analyzer including at least one first set of electrodes, at least one second set of electrodes, and a field free space separating the two sets of electrodes is disclosed. The two sets of electrodes form two-dimensional electrostatic fields of ion mirrors and are arranged to provide isochronous ion oscillations in an x-y plane. Both sets of electrodes are curves at a constant curvature radius R along a third locally orthogonal Z-direction to form a torroidal field region. A related method is also disclosed. 126-. (canceled)27. An electrostatic analyzer comprising:at least one first set of electrodes forming a two-dimensional electrostatic field of an ion mirror in an X-Y plane; said ion mirror arranged to provide ion reflections in an X-direction;at least one second set of electrodes forming a two-dimensional electrostatic field in said X-Y plane; anda field free space separating said two electrode sets;wherein said two electrode sets are arranged to provide isochronous ion oscillations in said; field free space,wherein both of said two electrode sets are curved at constant curvature radius R along a third locally orthogonal Z-direction to form at least one torroidal field regions.28. The electrostatic analyzer of claim 27 , wherein at least one of said electrode sets is angularly modulated to periodically reproduce three-dimensional field sections E(X claim 27 ,Y claim 27 ,Z) along the third locally orthogonal Z-direction.29. The electrostatic analyzer of claim 27 , wherein within said first set of mirror electrodes claim 27 , at least one outer ring electrode is connected to a higher repelling voltage relative to an opposite electrode of an internal ring.30. The electrostatic analyzer of claim 27 , wherein said torroidal field regions comprise sections with different curvature radii to form one shape of the group: (i) a spiral; (ii) a snake-shape; and (iii) a stadium-shape.31. The electrostatic analyzer of claim 27 , wherein the angle between the ...

INTEGRATED HYBRID NEMS MASS SPECTROMETRY

A hybrid mass spectrometer comprising: an ion source for generating ions from a sample, a first mass spectral system comprising a nanoelectromechanical mass spectral (NEMS-MS) system, a second mass spectral system including at least one mass analyzer adapted to separate the charged particles according to their mass-to-charge ratios, and an integration zone coupling the first and second mass spectral systems, the integration zone including at least one directional device for controllably routing the ions to a selected one or both of the first and second mass spectral systems for analysis thereby. The second system can be an orbital electrostatic trap system. The ion beam can be electrically directed to one or the other system by ion optics. A chip with resonators can be used with cooling. Uses include analysis of large mass complexes found in biological systems, native single molecule analysis, and size and shape analysis. 1. A mass spectrometer apparatus comprising:at least one hybrid mass spectrometer comprising:an ion source for generating ions from a sample,a first mass spectral system comprising a nanoelectromechanical mass spectral (NEMS-MS) system,a second mass spectral system including at least one mass analyzer adapted to separate the charged particles according to their mass-to-charge ratios,an integration zone coupling the first and second mass spectral systems, the integration zone including at least one directional device for controllably routing the ions to a selected one or both of the first and second mass spectral systems for analysis thereby.2. The apparatus of claim 1 , wherein the integration zone comprises at least one quadrupole claim 1 , at least one aperture claim 1 , and at least one electrostatic lens.3. (canceled)4. The apparatus of claim 1 , wherein the first and second mass spectral systems are further integrated with a system interface comprising a transfer chamber and ion optics.5. (canceled)6. The apparatus of claim 1 , wherein the ...

IONIZATION WITH FEMTOSECOND LASERS AT ELEVATED PRESSURE

The present disclosure generally provides ionization methods and devices for use in mass spectrometry. In some embodiments, the ionization methods and devices employ short laser pulses (e.g., pulses having pulsewidths in a range of about 2 fs to about 1 ps) at a high intensity (e.g., an intensity in a range of about 1 TW/cmto about 1000 TW/cm) to ionize an analyte an ambient pressure greater than about 10Torr (e.g., an ambient pressure in a range of about 1 atmosphere to about 100 atmospheres). 1. In a mass spectrometer , a method for ionizing a sample , comprising:{'sup': −5', '5', '2', '2, 'irradiating a sample at an ambient pressure in a range of about 10Torr to about 10Torr with one or more radiation pulses having a pulsewidth in a range of about 2 fs to about 1 ps at a pulse power density in a range of about 1 TW/cmto about 1000 TW/cmto cause ionization of at least a portion of the sample.'}2. The method of claim 1 , wherein said radiation pulses have a pulsewidth in a range of about 30 fs to about 500 fs.3. The method of claim 1 , wherein said radiation pulses have a pulsewidth in a range of about 50 fs to about 100 fs.4. The method of claim 1 , further comprising introducing the sample into an ionization chamber and focusing said radiation pulses onto a focal volume in said chamber to cause said ionization of the sample.5. The method of claim 1 , wherein said radiation pulses cause non-resonant ionization of one or more constituents of said sample.6. The method of claim 1 , wherein said radiation pulses have a central wavelength in a range of about 200 nm to about 100 microns.7. The method of claim 1 , wherein said radiation pulses have a central wavelength in a range of about 600 nm to about 10 microns.8. The method of claim 1 , wherein said radiation pulses have a central wavelength in a range of about 800 nm to about 3 microns.9. The method of claim 1 , wherein said radiation pulses are applied to the sample at a repetition rate in a range of about 1 Hz to ...

System and method for quantitation in mass spectrometry

A method of operating a tandem mass spectrometer system is disclosed including accumulating ions in an ion trap, transmitting a plurality of ions out of the ion trap into a timed-ion selector, applying a pulsed DC voltage to the timed-ion selector, the pulsed DC voltage being modulated to match an ejection time for selecting a first portion of ions from the plurality of ions, corresponding to a specific m/z window, transmitting the first portion of selected ions out of the timed-ion selector into a reaction cell, transmitting dissociation product ions and the remaining ions of the first portion of selected ions out of the reaction cell into a mass analyzer, and mass-selectively transmitting at least some of the fragment ions and the remaining ions of the first portion of selected ions out of the mass analyzer into a detector.

Mass Spectrometry

A method of searching for potentially unknown metabolites of pharmaceutical compounds is disclosed. The accurate mass of a pharmaceutical compound will generally be known and can be rendered in the form of an integer nominal mass or mass to charge ratio component and a decimal mass or mass to charge ratio component. Possible metabolites are searched for on the basis of having a decimal mass or mass to charge ratio component which is substantially very similar to the decimal mass or mass to charge ratio of the parent pharmaceutical compound.

Method of Charge State Selection

A method of mass spectrometry or ion mobility spectrometry is disclosed in which analyte ions of a desired charge state are isolated. The method comprises: separating analytes according to their electrophoretic mobility; ionising the analytes; and mass filtering the resulting analyte ions, wherein the mass to charge ratios of the ions transmitted by a mass filter are varied as a function of the electrophoretic mobility and according to a predetermined relationship such that substantially only ions having said desired charge state are transmitted by the mass filter. 1. A method of mass spectrometry or ion mobility spectrometry comprising:separating analytes in a separator such that analytes having different electrophoretic mobilities elute from the separator at different times;ionising the separated analytes as they elute from the separator so as to form analyte ions that are separated from each other;transmitting the analyte ions to at least one device that manipulates the ions; andvarying the operation of the at least one device based on the elution time of the analytes from the separator.2. The method of claim 1 , wherein the at least one device comprises a gas phase ion mobility separator that accumulates the analyte ions and periodically releases them into an ion mobility separation region of the ion mobility separator as a packet of ions; and wherein the frequency and/or duty cycle at which the packets of ions are released into the ion mobility separator is varied as a function of elution time of the electrophoretic mobility separator.3. The method of claim 2 , wherein for a given packet of ions that is released into the separation region of the ion mobility separator claim 2 , one or more further packet of ions is subsequently released into the separation region whilst at least some of the ions from said given packet of ions are still travelling through and/or being separated in the ion mobility separator.4. The method of claim 1 , wherein the at least one ...

Method of Optimising Spectral Data

A method of mass spectrometry or ion mobility spectrometry is disclosed. The method comprises: providing a plurality of species of ions; analysing the ions during a plurality of sequential acquisition periods so as to obtain spectral data relating to the ions; varying the value of an operational parameter of the spectrometer such that it has different values during the different acquisition periods, wherein the spectral data obtained for a given ion varies depending on the value of the operational parameter; storing the spectral data obtained during the different acquisition periods separately; selecting a target ion; and then interrogating the spectral data so as to identify a set of first acquisition periods that include data corresponding to said target ion. Selecting spectral data from only a subset of the first acquisition periods allows the selection of the optimal spectral data for the target ion, whilst discarding less optimal data.

METHOD FOR DETERMINING THE MAXIMUM MASS PEAK IN MASS SPECTROMETRY

A fast method for determining molecular mass using mass spectrometry has the following steps: specifying a first adjusting value (M1) of the mass spectrometer, recording the associated signal amplitude (A1), specifying a second adjusting value (M2) which is different to the first, measuring the associated second signal amplitude (A2), specifying a third adjusting value (M3) which is different to the first (M1) and the second (M2) adjusting value, measuring the associated third signal amplitude (A3), determining a quadratic function containing the measured amplitude values as y-values and the specified adjusting values as x-values, determining the maximum of the quadratic function, wherein the searched adjusting value is determined from the x-value of the maximum. 1. A method for determining a molecular mass with the aid of mass spectroscopy , said method comprising the steps of:predefining a first set value (M1) of the mass spectrometer,capturing the associated signal amplitude (Al),predefining a second set value (M2) differing from the first set value,measuring the associated second signal amplitude (A2),predefining a third set value (M3) differing from the first (M1) and the second (M2) set value,measuring the associated third signal amplitude (A3),obtaining a quadratic function containing the measured amplitude values as y-values and the predefined set values as x-values,determining the maximum of the quadratic function, the searched set value for the molecular mass being determined from the x-value of said maximum.2. The method according to claim 1 , wherein the quadratic function is a parable of the type y=ax+bx+c claim 1 , its x-values corresponding to the predefined set values and its y-values corresponding to the measured amplitude values claim 1 , and wherein a claim 1 , b and c are mathematical constants.3. The method according to claim 1 , wherein amplitude values for at least three different set values and not more than ten set values are measured.4. The ...

APPARATUS AND METHODS FOR PLASMA-ASSISTED REACTION CHEMICAL IONIZATION (PARCI) MASS SPECTROMETRY

Plasma-assisted reaction chemical ionization (PARCI) provides highly sensitive elemental analysis by producing positively and negatively charged ions. The PARCI apparatuses, kits, and methods described in this application relate to systems that comprise a chemical reaction interface (CRI) containing reactant gas plasma and an ionization chamber that is downstream from the CRI. The ionization chamber facilitates formation of ions from element-specific products of the CRI by an electron source or an ionization gas. In particular, PARCI provides a method for conducting highly sensitive mass spectrometric elemental analysis of analyte compounds with high ionization potential elements; for example, fluorine, chlorine, and bromine. 1. An apparatus for elemental mass spectrometry comprising:a chemical reaction interface (CRI), which comprises reactant gas plasma; 'wherein the ionization chamber is downstream of the CRI; and', 'an ionization chamber,'}a mass-spectrometer.2. The apparatus of claim 1 , wherein the ionization chamber comprises an electron source.3. The apparatus of claim 1 , wherein the ionization chamber comprises an ionization gas and/or a dopant molecule.4. The apparatus of claim 1 , wherein the pressure in the ionization chamber is greater than about 1.0 torr.5. The apparatus of claim 1 , wherein the plasma reactant gas comprises helium (He) claim 1 , nitrogen (N) claim 1 , argon (Ar) claim 1 , oxygen (O) claim 1 , hydrogen (H) claim 1 , air claim 1 , water or a combination thereof.6. The apparatus of claim 1 , wherein the plasma is at a pressure of between about 1.0 torr to about 50.0 torr.7. The apparatus of claim 1 , wherein the plasma is at atmospheric pressure.8. The apparatus of claim 3 , wherein the dopant or ionization gas is acetone claim 3 , toluene claim 3 , benzoic acid claim 3 , nitrogen (N) claim 3 , oxygen claim 3 , ammonia (NH) claim 3 , air claim 3 , argon (Ar) methanol claim 3 , water claim 3 , or a combination thereof.9. The apparatus of ...

Use of Mass Spectral Difference Networks for Determining Charge State, Adduction, Neutral Loss and Polymerization

A mass spectrometric analysis method comprises: () processing a mass spectrum to reduce the signals to monoisotopic values; () creating a list of differences between the monoisotopic values; () creating one or more lists of theoretical mass-to-charge differences among known adducts, charge states and polymerization states whose formation may be expected from various analyte molecules; () comparing the theoretical differences (line or edge in the network) to the list of differences from the mass spectrum and, where applicable, make and tabulate tentative species assignments; () assigning the mass spectral peaks to respective ion species in accordance with the redundancy of each assignment based on multiple independent calculated mass-to-charge differences pertaining to each peak; () choosing an ion species for further fragmentation or reaction in the mass spectrometer, based on the assigning; and () performing the fragmentation or reaction on the chosen ion species in the mass spectrometer. 1. A mass spectrometric analysis method comprising:(a) receiving, from a mass spectrometer, experimentally observed mass spectral data;(b) identifying isotopic clusters in the experimentally observed mass spectral data;(c) determining a respective experimental monoisotopic mass-to-charge (m/z) value for each identified isotopic cluster;(d) calculating theoretical monoisotopic m/z values of a plurality of ion species theoretically predicted to be generated by mass spectral ionization of analyte molecules, each ion species corresponding to a respective combination of analyte-molecule composition, adduction, ionic charge state, and analyte-molecule polymerization state;{'sub': 'exp', '(e) calculating an m/z-value difference, Δ(m/z), corresponding to the difference between the m/z values of each respective pair of determined experimental monoisotopic m/z values;'}{'sub': 'theor', '(f) calculating an m/z-value difference, Δ(m/z), corresponding to the difference between the m/z values ...

Spatially Correlated Dynamic Focusing

A Time of Flight mass analyser is disclosed comprising one or more acceleration electrodes and a first device arranged and adapted to apply a DC voltage pulse to the one or more acceleration electrodes. The DC voltage pulse causes ions to be accelerated into a time of flight or drift region and the DC voltage pulse is applied, in use, to the one or more acceleration electrodes between a time Tand a time T. A second device is arranged and adapted to apply a single phase oscillating voltage to the one or more acceleration electrodes, wherein the single phase oscillating voltage undergoes multiple oscillations between the time Tand the time T. The application of the DC voltage pulse and the single phase oscillating voltage to the one or more acceleration electrodes establishes an homogeneous electric field having a net force towards the time of flight or drift region. 1. A Time of Flight mass analyser comprising:one or more acceleration electrodes; and{'sub': 1', '2, 'a first device arranged and adapted to apply a DC voltage pulse to said one or more acceleration electrodes, wherein said DC voltage pulse causes ions to be accelerated into a time of flight or drift region and wherein said DC voltage pulse is applied, in use, to said one or more acceleration electrodes between a time Tand a time T;'}wherein said Time of Flight mass analyser further comprises:{'sub': 1', '2, 'a second device arranged and adapted to apply a single phase oscillating voltage to said one or more acceleration electrodes, wherein said single phase oscillating voltage undergoes multiple oscillations between said time Tand said time T; and'}wherein the application of said DC voltage pulse and said single phase oscillating voltage to said one or more acceleration electrodes establishes a substantially homogeneous electric field having a net force towards said time of flight or drift region.2. A Time of Flight mass analyser as claimed in claim 1 , wherein said oscillating voltage comprises a ...

Methods of Mass Spectrometry Quantitation Using Cleavable Isobaric Tags and Neutral Loss Fragmentation

Isobaric mass spectrometry tags (e.g., TMT) are susceptible to ratio compression, which arises from the co-isolation and co-fragmentation of interfering species that also contribute to the final reporter ion ratios. Additional stages of ion activation/transformation (e.g., MSn and PTR) have been shown to decrease ratio compression. Embodiments of the present invention include a mass spectrometry cleavable moiety on the isobaric mass tags. The cleavable moiety allows for a predictable mass loss, and results in an improved tag reporter ion purity. 1. A method of mass spectrometry , comprising:(a) labeling a peptide with an isobaric tag comprising a tag reporter moiety, a neutral loss moiety and a mass balance region to form a tagged peptide;(b) ionizing the tagged peptide to form a precursor ion;(c) selecting the precursor ion for fragmentation;(d) fragmenting the precursor ion to form a first generation of fragment ions and a neutral loss fragment, wherein the neutral loss fragment is, or is at least a part of, the neutral loss moiety;(e) selecting at least one of the first generation of fragment ions for fragmentation;(f) fragmenting the at least one first generation of fragment ions to form a second generation of fragment ions, wherein the second generation of fragment ions includes a tag reporter ion; and,(g) mass analyzing the tag reporter ion.2. The method of claim 1 , wherein the peptide is labeled with a plurality of isobaric tags.3. The method of claim 1 , wherein a plurality of peptides are labeled with a series of isobaric tags claim 1 , wherein the plurality of peptides may be from the same source or from different sources and where the plurality of peptides have the same amino acid sequence.4. The method of claim 1 , wherein ionizing the tagged peptide is performed using ESI claim 1 , APCI claim 1 , MALDI or APPI.5. The method of claim 1 , wherein the peptide is sequenced concurrently or after the tag reporters are mass analyzed.6. The method of claim 1 , ...

PROTON TRANSFER REACTION MASS SPECTROMETER

A mass spectrometer includes an ion source configured to generate reagent ions; a drift tube configured to cause sample molecules to react with the reagent ions to generate sample ions, the drift tube comprising two sets of electrodes which are identical in structure and symmetrically distributed in a direction perpendicular to a direction of ion drift, each set of electrodes comprising a plurality of curved cell electrodes which are distributed in a same plane and arranged in the direction of ion drift so that the sample ions are generated and drifted within a region between the two sets of electrodes and focused in the direction perpendicular to the direction of ion drift; a power supply device configured to apply, to each of the cell electrodes, a DC voltage changing in the direction of ion drift; and, a mass analyzer configured to perform mass analysis for the sample ions. 1. A mass spectrometer , comprising:an ion source configured to generate reagent ions;a drift tube configured to cause sample molecules to react with the reagent ions to generate sample ions, said drift tube comprising two sets of electrodes which are identical in structure and symmetrically distributed in a direction perpendicular to a direction of ion drift, each set of electrodes comprising a plurality of curved cell electrodes which are distributed in a same plane and arranged in the direction of ion drift so that the sample ions are generated and drifted within a region between said two sets of electrodes and focused in the direction perpendicular to the direction of ion drift;a power supply device configured to apply, to each of the cell electrodes, a DC voltage changing in the direction of ion drift, a DC electric field formed by said DC voltage being used for ion drift; anda mass analyzer configured to perform mass analysis for the sample ions.2. The mass spectrometer according to claim 1 , wherein the cell electrodes are ring or arc electrodes claim 1 , and each set of electrodes ...