A computer implemented method for automatic peak integration of at least one chromatogram of at least one sample. The method comprises retrieving at least one chromatogram of the chemical related substance and at least one chromatogram of the analyte; evaluating the chromatogram of the chemical related substance, wherein the evaluating comprises determining at least one initial value for analyte retention time by determining retention time of the chemical related substance and adding the retention time of the chemical related substance with a pre-determined or pre-defined constant offset and/or multiplying the retention time of the chemical related substance with a pre-determined or pre-defined constant factor; evaluating the chromatogram of the analyte, wherein the evaluating comprises at least one position determining step; and at least one peak integration step, wherein analyte peak area and analyte peak shape are determined by applying at least one fitting analysis to the chromatogram of the analyte.

The present invention discloses a quantitative detection method of multiple metabolic components in a biological sample and a metabolic chip used in the method. The detection method includes performing derivatization treatment on the biological sample and then detecting the derivatized biological sample by liquid chromatography-mass spectrometry. During derivatization treatment, 3-nitrophenylhydrazine is used as a derivatization reagent, and 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide is used as a derivatization reaction catalyst. According to the detection method of the present invention, high-sensitivity detection can be achieved, multiple metabolic components of different magnitudes can be detected, the operation is simple and fast, and the method is applicable to clinical detection and scientific research examination. The metabolic chip of the present invention includes a chip carrier microtiter plate and related reagents, and quantitative detection of multiple metabolic components of different magnitudes such as amino acid, phenol, phenyl or benzyl derivative, indole, organic acid, fatty acid, sugar, and bile acid in the biological sample on the same microtiter plate can be achieved.

Provided are methods for detecting chromogranin A by mass spectrometry. In another aspect, provided herein are methods for quantitating chromogranin A by mass spectrometry. In another aspect, provided herein are methods for prognosis of or measuring the size of neuroendocrine tumors by mass spectrometry.

Methods are provided for synthesizing mixtures of lipids that are representative of the structural diversity of the lipids present in samples of interest. The complex mixtures of lipids produced according to the methods of the present disclosure can be used as internal standards for detecting and quantifying the lipids in samples of interest. Kits including the internal standards and instructions for their use in the detection and quantification of lipids in samples of interest are also provided.

Methods of quantifying a N.sup.2-(1-carboxyethyl)-2′-deoxyguanosine (CEdG) levels in biological samples and comparing those levels to known normal levels can diagnose a number of metabolic disorders or complications associated therewith, including diabetes, its associated complications, and cancer. Methods can also determine whether therapies for disorders are effective by measuring CEdG levels before and after treatment. Measurement of CEdG levels is achieved by using liquid chromatography electrospray ionization tandem mass spectrometry.

The present invention relates to a method for quantifying one or more analytes in a sample by an analysis system comprising a separation unit (LC column), a means of adding a solution post-column (Connector), and a detection unit comprising a mass spectrometer coupled through an ionization source, the method comprising: ⋅ (i) inducing matrix effect on the analytes in the sample and on the post-column infused internal standards (PCI-ISs); ⋅ (ii) matching one or more post-column infused internal standard (PCI-IS) to each analyte that best matches the analyte's response to the matrix effect, and ⋅ (iii) storing the analyte-matched PCI-IS identification and, optionally, associated response data in a library; and ⋅ (iv) applying the analyte-matched PCI-IS to the analyte in other samples to correct the analyte peak responses for the matrix effect during ionization and to obtain (absolute) quantitation of the analyte using the response data.

This invention employs solid phase extraction media and column methods to apply external and internal standards and compounds. Analytical standard or compounds including PFAS are adsorbed to a solid phase extraction media and are stored indefinitely. The standards or compounds remain stable on the solid phase extraction media without decomposing. The standards or compounds may be removed from the solid phase extraction media with an elution solvent or reagent.

A separation device receives a known or unknown glycan that is co-injected with three different oligomers maltooligosaccharide (MOL). A detector measures the separated glycan and the separated three different oligomers as intensity peaks that are a function of migration time. The migration times of a plurality of other oligomers of MOL are calculated from the migration times of the three different oligomers. Glucose unit (GU) values for the intensity peaks of the separated glycan are calculated by comparing their migration times to the calculated migration times of the plurality of other oligomers of MOL. The processor identifies the structure of the glycan by comparing the calculated GU values of the intensity peaks of the separated glycan to a database of GU values for known glycan structures.

This invention employs columns and methods to apply external and internal standards and compounds. Analytical standard or compounds are adsorbed to a solid phase extraction media and are stored indefinitely. The standards or compounds remain stable on the solid phase extraction media without decomposing. The standards or compounds may be removed from the solid phase extraction media with a solvent.

Provided is a method for simultaneously detecting Vitamin K1 and Vitamin K2 in traces of blood. The method includes: constructing a two-dimensional liquid chromatography-tandem mass spectrometer, establishing an analytical method, and detecting at least three mixed standard solutions using the constructed two-dimensional liquid chromatography-tandem mass spectrometer to obtain a first detection result; fitting standard curve equations respectively corresponding to Vitamin K1 and Vitamin K2; and mixing and centrifuging a blood sample to which an extraction reagent and a certain amount of internal standard substance are added, collecting a supernatant, blowing the supernatant to dry with nitrogen, redissolving the residue, and detecting the dry supernatant using the constructed two-dimensional liquid chromatography-tandem mass spectrometer to obtain a second detection result. In this manner, concentrations of Vitamin K1 and Vitamin K2 in the blood sample are obtained.