IROA METABOLOMICS WORKFLOW FOR IMPROVED ACCURACY, IDENTIFICATION AND QUANTITATION

An IROA Matrix of metabolite compounds is disclosed. Each of whose compounds has a molecular weight of 2000 AMU or less, and is present as first and second isotopomers that are equally present at twopredetermined isotopomeric balances, and contain 2 to 10% of a first isotope, and 90 to 98% of a second isotope, respectively. A reagent pair for transforming a natural abundance mass spectral analysis metabolite sample into an IROA sample is also disclosed and comprises two reactively identical reagents that constitute first and second isotopomers containing 2 to 10% of a first isotope, and 90 to98% of a second isotope, respectively. Each of the reagent pair contains the same reactive group that reacts with and bonds to a functional group of one or more compounds present in a composition ofbiologically-produced metabolite compounds. Methods of making and using the above and related materials are also disclosed. 公开了代谢物化合物的IROA基质。其化合物中的每一种的分子量为2000 AMU或更少，并且作为第一和第二同位素异构体存在，所述第一和第二同位素异构体以两种预定的同位素异构平衡同等存在，并且分别含有2-10%