Abstract: The present invention provides a compound of formula (I), formula (II), formula (III), (IV) or a salt thereof, compositions and methods of making the compound, methods and reagents for measuring the compound, and kits using the same. The use of a compound of formula (I), formula (II), formula (III), or formula (IV) for assessing or monitoring kidney function in a subject, determining predisposition to developing reduced kidney function, classifying a subject according to level of kidney function, and diagnosing or monitoring chronic kidney disease is also described.

Abstract: A method for determining in a sample, by mass spectrometry, the amount of one or more analytes selected from the group consisting of N-acetylthreonine, TMAP, phenylacetylglutamine, tryptophan, creatinine, meso-erythritol, arabitol, myo-inositol, N-acetyl serine, N-acetylalanine, 3-methylhistidine, trans-4-hydroxyproline, kynurenine, urea, C-glycosyltryptophan, 3-indoxyl sulfate, pseudouridine, and combinations thereof is described. The method comprises 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; measuring, by mass spectrometry, the amount of the one or more ions from each of the one or more analytes; and 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. Also described is a kit comprising one or more isotopically labeled analogues as internal standards for each of the one or more analytes.

Abstract: A method for determining in a sample, by mass spectrometry, the amount of one or more analytes selected from the group consisting of 12,13-DiHOME, 3-hydroxybutyrate (BHBA), 3-hydroxyoctanoate, 3-methylglutarylcarnitine, 3-ureidopropionate, 7-alpha-hydroxy-4-cholesten-3-one (7-Hoca), citrate, fucose, fumarate, gamma-tocopherol, glutamate, glutarate, glycerol, glycochenodeoxycholate, glycocholate, hypoxanthine, maleate, malonate, mannose, orotate, 2,3-pyrdinedicarboxylate, ribose, serine, taurine, taurochenodeoxycholate, taurocholate, palmitoleate, linolenate, xanthine, xylitol, and combinations thereof is described.

Abstract: A method of assessing the analytical performance of a biochemical measured using a multi-analyte assay is described. The method includes analytically validating a measurement of the level of a first biochemical in a sample, wherein the first biochemical has been previously analytically validated for three or more analytical validation conditions; measuring the level of a second biochemical in a sample, wherein the second biochemical is structurally or biochemically related to the first biochemical; and comparing validation parameters of the first biochemical with validation parameters of the second biochemical to determine whether the performance of the second biochemical is acceptable based on the comparison results.

Abstract: A method, apparatus, and computer-readable storage medium for analyzing component separation/mass spectrometer data for a sample having known characteristic includes analyzing reference ion data for a relationship between ion mass, retention time, and intensity. The analyzed data is added to a repository, wherein each ion therein has an intensity maxima within a characteristic retention time range for a characteristic ion mass. If the reference ion is in the repository, the range is modified according to the characteristic retention time of the reference ion intensity maxima. Based on the known characteristic, an ion expected in the sample is selected from the repository, and sample data is compared to data for the ion selected from the repository to determine whether the ion is present in the sample. The range in the repository is then modified according to the characteristic retention time of the intensity maxima for the ion present in the sample.

Abstract: 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.

Abstract: 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.

Abstract: A method for determining in a sample, by mass spectrometry, the presence, absence, or amount of one or more analytes is described herein. The run time is less than six minutes. The method includes 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 analytes, wherein the one or more analytes are derivatized prior to ionization; measuring, in a single injection, by mass spectrometry, the amount of the one or more ions from each of the one or more analytes; and 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.

Abstract: A method for determining in a sample, by mass spectrometry, the amount of one or more analytes selected from the group consisting of 12,13-DiHOME, 3-hydroxybutyrate (BHBA), 3-hydroxyoctanoate, 3-methylglutarylcarnitine, 3-ureidopropionate, 7-alpha-hydroxy-4-cholesten-3-one (7-Hoca), citrate, fucose, fumarate, gamma-tocopherol, glutamate, glutarate, glycerol, glycochenodeoxycholate, glycocholate, hypoxanthine, maleate, malonate, mannose, orotate, 2,3-pyrdinedicarboxylate, ribose, serine, taurine, taurochenodeoxycholate, taurocholate, palmitoleate, linolenate, xanthine, xylitol, and combinations thereof is described.

Abstract: A method of assessing the quality of a biological sample while maintaining the viability of the biological sample for intended use analysis is described herein. The method includes analyzing a biological sample obtained from a subject for an intended use, assessing the quality of the biological sample using one or more biomarkers of sample quality, and simultaneously performing intended use analysis on the same sample. Assessing the quality of the sample can include assessing compliance with sample handling protocols and assessing subject compliance.

Abstract: The present invention provides a compound of formula (I) or a salt thereof and their use as a biomarker in assessing or monitoring kidney function in a subject, determining predisposition to developing reduced kidney function, classifying a subject according to level of kidney function, diagnosing or monitoring chronic kidney disease. Compositions and method of making of the compound of formula (I) are also described.

Abstract: A method is provided for analyzing metabolite data in a sample, comprising analyzing a sample to determine a first number of metabolites, and amount of each metabolite, included in the sample, and a second number of the first number of metabolites that are regulated. Biochemical pathways are determined, each having a third number of the first number of metabolites that are included in the sample and in the determined biochemical pathway. For each of the determined biochemical pathways having the third number of metabolites, a fourth number of the second number of metabolites that are included in the sample and in the determined biochemical pathway that are regulated metabolites is determined. Each of the third number of metabolites within one of the determined biochemical pathways is displayed and distinguished by the amount of each corresponding metabolite included in the sample. An associated apparatus and computer program product are also provided.

Abstract: Methods and systems are described herein for small molecule biochemical profiling of an individual subject for diagnosis of a disease or disorder, facilitating diagnosis of a disease or disorder, and/or identifying an increased risk of developing a disease or disorder in the individual subject. Aberrant levels of small molecules present in a sample from an individual subject are identified and diagnostic information relevant to the individual subject is obtained based on the identified aberrant levels. The obtained diagnostic information includes one or more of an identification of at least one biochemical pathway associated with the identified subset of the small molecules having aberrant levels, an identification at least one disease or disorder associated with the identified subset of the small molecules having aberrant levels, and an identification of at least one recommended follow up test associated with the identified subset of the small molecules having aberrant levels.

Abstract: Biomarkers of kidney function and methods for using said biomarkers for assessing kidney function, monitoring kidney function, diagnosing acute kidney injury, and diagnosing chronic kidney disease are provided. Also provided are suites of small molecule entities as biomarkers for chronic kidney disease.

Abstract: The present invention provides a method for diagnosing a disease or disorder selected from the group consisting of insulin resistance, a metabolic disorder, diabetes and pre-diabetes in a subject. The method comprises the step of determining the level of a compound represented by structural formula (VI): or a salt thereof. Compositions and method of making thereof are also described.

Abstract: Biomarkers relating to pancreatic Beta-cell function, pancreatic Beta-cell glucose sensitivity, insulin resistance, and/or pancreatic Beta-cell-related disorders are provided. Methods based on the same biomarkers are also provided.

Abstract: Methods are described herein for small molecule biochemical profiling of an individual subject for diagnosis of a disease or disorder, facilitating diagnosis of a disease or disorder, and/or identifying an increased risk of developing a disease or disorder in the individual subject. Aberrant levels of small molecules present in a sample from an individual subject are identified and diagnostic information relevant to the individual subject is obtained based on the identified aberrant levels. The obtained diagnostic information includes one or more of an identification of at least one biochemical pathway associated with the identified subset of the small molecules having aberrant levels, an identification at least one disease or disorder associated with the identified subset of the small molecules having aberrant levels, and an identification of at least one recommended follow up test associated with the identified subset of the small molecules having aberrant levels.

Abstract: Biomarkers relating to cardiovascular disease, including atherosclerosis and cardiomyopathy, are provided, as well as methods for using such biomarkers as biomarkers for cardiovascular disease. In addition, methods for modulating the respective disorders or conditions of a subject are also provided. Also provided are suites of small molecule entities as biomarkers for cardiovascular disease, including atherosclerosis and cardiomyopathy.

Abstract: A method of assessing the quality of a biological sample while maintaining the viability of the biological sample for intended use analysis is described herein. The method includes analyzing a biological sample obtained from a subject for an intended use, assessing the quality of the biological sample using one or more biomarkers of sample quality, and simultaneously performing intended use analysis on the same sample. Assessing the quality of the sample can include assessing compliance with sample handling protocols and assessing subject compliance.

Abstract: Biomarkers relating to insulin resistance and insulin resistance-related disorders are provided, as well as methods for using such biomarkers as biomarkers for insulin resistance, dysglycemia, type-2 diabetes, and cardiovascular disease. In addition, methods for monitoring the respective disorders or conditions of a subject are also provided. Also provided are suites of small molecule entities as biomarkers for insulin resistance, dysglycemia, type-2 diabetes, and cardiovascular disease.