Examples are directed toward collecting, by a LC-MS device, a full scan of ion chromatograms of a sample. The LC-MS device determines observed ions contained in the full scan, based on mass-to-charge ratios (m/z), and determines, for a formation curve of an observed ion, a formation point at which fifty percent of the observed ion has formed. The LC-MS device determines a fragmentation curve of a precursor ion, based on a fragmentation point of the fragmentation curve equivalent to the formation point at which fifty percent of the precursor ion has fragmented, and identifies the precursor ion by referencing the LC-MS library to confirm that the observed ion is a product of the fragmentation of the precursor ion. The LC-MS device indicates a goodness of fit between the fragmentation curve, as observed, and a model fragmentation curve, as stored in the LC-MS library.

In a data processing unit, alignment is performed by appropriately deforming one image among MS imaging images acquired from different samples so that positions and sizes on the MS imaging image are matched (S1 to S5). When the aligned image is displayed on a screen of a display unit and a user sets a region of interest on the image serving as a reference (S6), a micro region including a center point within a range of the set region of interest is extracted in each of an image serving as the reference and an image not serving as the reference (S7). In the image subjected to image deformation, although the shape of each micro region is distorted and micro regions are not arranged in an orderly grid manner, by assuming that the micro regions in which the center point is included within the range of the region of interest is included in the range of the region of interest, it is possible to perform a comparative analysis based on the data value within an appropriate micro region corresponding to the region of interest regardless of the image deformation.

The invention provides hybrid mass spectrometric systems which comprise an ion source, a first trapped ion mobility spectrometry (TIMS) analyzer and a mass analyzer, wherein the TIMS analyzer is located and operated in a first vacuum chamber at an elevated pressure above 500 Pa, and methods for operating the hybrid mass spectrometric systems.

Provided are methods for determining the amount of estradiol in a sample using mass spectrometry. The methods generally involve ionizing estradiol in a sample and detecting and quantifying the amount of the ion to determine the amount of estradiol in the sample.

A method of performing mass spectrometry includes accumulating, over an accumulation time, ions produced from components eluting from a chromatography column and transferring the accumulated ions to a mass analyzer. During an acquisition, a mass spectrum of detected ions derived from the transferred ions is acquired. An elution profile is obtained from a series of acquired mass spectra including the acquired mass spectrum and a plurality of previously-acquired mass spectra. The elution profile includes a plurality of detection points representing intensity of the detected ions as a function of time. A current signal state of the elution profile is classified based on a subset of detection points included in the plurality of detection points. The accumulation time for a next acquisition of a mass spectrum is set based on the classified current signal state of the elution profile.

Provided are methods for determining the amount of tamoxifen and its metabolites in a sample by mass spectrometry. In some aspects, the methods provided herein determine the amount of N-Desmethyl Tamoxifen. In some aspects, the methods provided herein determine the amount of N-Desmethyl Tamoxifen and other tamoxifen metabolites. In some aspects, the methods provided herein determine the amount of tamoxifen, N-Desmethyl Tamoxifen, and other tamoxifen metabolites.

Provided are methods for determining the amount of lacosamide in a sample using mass spectrometry. The methods generally involve ionizing lacosamide in a sample and detecting and quantifying the amount of the ion to determine the amount of lacosamide in the sample.

The invention relates to a method for mass analysing a sample by ionising the sample to first sample ions and to second sample ions and by obtaining mass spectra from the first sample ions and the second sample ions with a mass analyser (5). Thereby, repeatedly, a first assay is obtained from the sample and transferred past any chromatography column to a first ion source (2) and ionised by the first ion source (2) to the first sample ions, wherein the first sample ions obtained from the respective first assay are transferred to the mass analyser (5), wherein at least one first mass spectrum is obtained with the mass analyser (5) from the first sample ions obtained from the respective first assay and ionised by and transferred from the first ion source (2). Furthermore, at least once, a second assay is obtained from the sample within a time window being associated with the respective second assay and having a window width, wherein the respective second assay is transferred for chromatographic separation via a chromatography column (3) to at least one second ion source (4.1, 4.2) in that after being chromatographically separated, the respective second assay eluting from the chromatography column (3) is transferred to the at least one second ion source (4.1, 4.2) and ionised by the at least one second ion source (4.1, 4.2) to the second sample ions, wherein the second sample ions obtained from the respective second assay are transferred to the mass analyser (5), wherein at least one second mass spectrum is obtained with the mass analyser (5) from the second sample ions obtained from the respective second assay which has been ionised by and transferred from the at least one second ion source (4.1, 4.2). Thereby, each one of the at least one second mass spectrum is assigned to one or more of the at least one first mass spectrum from the first sample ions obtained from one of the first assays which has been obtained from the sample within the time window associated with the respective second assay which has been chromatographically separated and ionised by the at least one second ion source (4.1, 4.2) to the second sample ions from which the respective one of the at least one second mass spectrum has been obtained. Furthermore, the invention relates to an apparatus (1) for mass analysing a sample with the method according to the invention.

The invention relates to the detection of non-metabolized vitamin D. In a particular aspect, the invention relates to methods for detecting underivatized non-metabolized vitamin D by mass spectrometry.

A method for the identification and localization of small molecule species in a histologic thin tissue section comprises the steps of: a) acquiring a mass/mobility image of the tissue section and generating a mass/mobility map of the small molecule species of interest for each pixel of the image; b) providing a second sample of the same tissue and extracting the small molecules of interest, separating them, and acquiring mass and ion mobility spectra from the separated small molecules; c) identifying the small molecules of interest using corresponding reference databases; and d) assigning identified small molecules to entries in the mass/mobility maps of the first tissue section by comparison of ion masses and mobilities of the identified species to those of the second thin tissue section.