US 12,230,488 B2
IROA metabolomics workflow for improved accuracy, identification and quantitation
Christopher Beecher, Chapel Hill, NC (US); Richard A. Yost, Gainesville, FL (US); and Robin Hendrikus Johannes Kemperman, Gainesville, FL (US)
Assigned to IROA TECHNOLOGIES, LLC., Chapel Hill, NC (US)
Filed by IROA Technologies, LLC, Bloomfield Hills, MI (US)
Filed on May 14, 2021, as Appl. No. 17/321,009.
Application 17/321,009 is a division of application No. 15/905,452, filed on Feb. 26, 2018, abandoned.
Claims priority of provisional application 62/463,153, filed on Feb. 24, 2017.
Prior Publication US 2022/0037139 A1, Feb. 3, 2022
Int. Cl. G01N 33/483 (2006.01); G01N 33/68 (2006.01); H01J 49/00 (2006.01)
CPC H01J 49/0036 (2013.01) [G01N 33/6845 (2013.01); H01J 49/0009 (2013.01); G01N 2458/15 (2013.01); G01N 2496/80 (2013.01); G01N 2560/00 (2013.01)] 13 Claims
OG exemplary drawing
 
1. A method of creating an isotopic ratio outlier analysis (IROA) standard sample of compounds and the identity data of those compounds that is a composition of biologically-produced metabolite compounds, each of said metabolite compounds having a molecular weight of about 2000 AMU or less, and each of said metabolite compounds being present as first and second isotopically-labeled compounds that are equally present at two predetermined balances, for a non-hydrogen/deuterium atom present in said compounds, said first isotopically-labeled compounds containing about 2 to about 10% of a first isotope and about 90 to about 98% of a second isotope of said non-hydrogen/deuterium atom, and said second isotopically-labeled compounds containing about 90 to about 98% of said first isotope and about 2 to about 10% of said second isotope of the same non-hydrogen/deuterium atom, said first and second isotopes being stable to radioactive decay, wherein mass spectral analysis of said IROA standard sample provides symmetrical patterns of peaks of compounds present within the resolution and sensitivity of the mass spectral analysis, said method comprising the steps of
1) mass spectrally determining the identity data of the compounds of said IROA standard sample, that are within the resolution and sensitivity of the mass spectra to provide its symmetrical IROA fragmentation peak pattern, and optionally determining one or both of:
a) the gas and/or liquid chromatographic properties of the compounds present, and
b) the ion mobility properties of the compounds present, and
2) maintaining the compound identity data so determined for use in identifying one or more of the same compounds in a later-analyzed sample.