A plurality of product ion spectra measured over plurality of cycles for each precursor ion mass selection window of two or more precursor ion mass selection windows are received from a tandem mass spectrometer. A product ion extracted ion chroatograms (XIC) is calculated for each precursor ion mass selection window of the two or more precursor ion mass selection windows from the plurality of product ion spectra for each precursor ion mass selection window. Two or more product ion XICs are produced. A two-dimensional binary bit matrix is generated to represent each product ion XIC of the two or more product ion XICs. For each XIC of the two or more product ion XICs, the binary bit matrix is separately initialized with binary values calculated from each XIC and the initialized binary bit matrix is compared with stored information about known compounds to identify known compounds of each XIC.

Disclosed herein is a system and methods for determining the alleles, neoantigens, and vaccine composition as determined on the basis of an individual's tumor mutations. Also disclosed are systems and methods for obtaining high quality sequencing data from a tumor. Further, described herein are systems and methods for identifying somatic changes in polymorphic genome data. Finally, described herein are unique cancer vaccines.

A method for determining the amount of one or more analytes in a sample by mass spectrometry is described. The one or more analytes are selected from the group consisting of alpha-hydroxybutyrate (2-HB), linoleoyl LPC (LGPC), oleic acid, 3-hydroxybutyrate (3-HB), 4-methyl-2-oxopentanoate (4-MOP), pantothenate, and serine. The method includes a) subjecting the sample to an ionization source under conditions suitable to produce one or more ions detectable by mass spectrometry from each of the one or more of the analytes, wherein the analytes are not derivatized prior to ionization; b) measuring, by tandem mass spectrometry, the amount of the one or more ions from each of the one or more analytes; and c) using the measured amount of the one or more ions to determine the amount of each of the one or more analytes in the sample.

The present invention relates to a bioinformation processing analysis method for the identification and quantification of O-linked glycopeptide using high resolution mass spectrum. Particularly, according to the bioinformation processing analysis method of the present invention, the quantitative changes of O-linked glycopeptide containing non-informed sugar chains included in various samples can be efficiently and accurately analyzed; the prediction or diagnosis of disease including cancer can be made easy by using a high resolution mass spectrometer; or the investigation of O-linked glycopeptide structure of a therapeutic glycoprotein can be efficiently achieved.

A system and method for using new biomarkers to assess individual diseases is provided. In one embodiment of the present invention, absolute quantification of annotated metabolites by mass spectrometry is used to identify certain biomarkers and derivatives thereof (i.e., signatures), which are then used to screen for, diagnose, predict, prognose, and treat various diseases, including, but not limited to, breast cancer, ovarian cancer, colorectal cancer, pancreatic cancer, and acute graft-versus-host disease.

Materials and methods for detecting and treating Coccidioidomycosis (Valley Fever) are provided herein. For example, materials and methods for enriching and detecting biomarker antigens (e.g., polypeptides and/or glycans) from Coccidioides immitis and Coccidioides posadasii, the fungi that cause Valley Fever, are described herein, as are methods for treating an individual for Valley Fever based on the results of the described detection methods.

Chemoproteomic methods for detecting and profiling electrophilic post-translational modifications (PTMs) and oxidative PTMs in proteins are described. The methods including contacting a proteomic mixture with a probe having hydrazine and alkyne moieties or oxyamine and alkyne moieties to form a covalent linkage between the hydrazine or oxyamine moiety of the probe and the electrophilic PTM or oxidative PTM of the protein. The resulting alkyne-derivatized proteins are labelled with an azide modified tag via a click chemistry reaction. The labelled proteins can then be detected or profiled using techniques such as, for example, fluorescence imaging or mass spectrometry. Also described are protein conjugates having a covalent linkage formed by reaction of a hydrazine or oxyamine moiety of a probe with an electrophilic or oxidative PTM of a protein.

A low power mass spectrometer assembly includes at least an ionization component, an electrostatic analyzer, a lens assembly, a magnet assembly and at least one detector located in a same plane as the entrance to the magnet assembly for detecting the deflected sample ions and/or fragments of sample ions, including ions or ion fragments indicative of the Vitamin D metabolite within the sample.

This disclosure relates to reagents and their use for elemental imaging mass spectrometry of biological samples.

Disclosed is a method for high-throughput screening of non-target biomarkers based on metabolic disturbance caused by pollutants, belonging to the field of environmental exposure and health. The method includes the following steps: (1) extracting to obtain extracts to be tested; (2) performing chromatographic analysis to obtain a spectrum containing chromatographic peaks; (3) identifying and labeling features of pollutants, taking chromatographic peaks other than the features of the pollutants as features of potential metabolites, and performing non-target labeling of the features of the potential metabolites; (4) establishing a linear regression model by taking the peak areas of the features of the potential metabolites as dependent variables and the peak areas of the features of the pollutants as independent variables; (5) operating the model, and performing non-target screening of the biomarkers to preliminarily obtain related biomarkers; (6) identifying the MS spectra and MS/MS spectra of the preliminarily obtained biomarkers, and identifying biomarkers related to pollutant exposure. The disclosed method improves the accuracy of biomarker screening and the throughput of biomarker screening.