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Taurocholic acid

Compound with spectra: 1 MS (GC)

Taurocholic acid
SpectraBase Compound ID 2vOhDSwzfTL
InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16?,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKey WBWWGRHZICKQGZ-FBJWDKEHSA-N
Mol Weight 515.7 g/mol
Molecular Formula C26H45NO7S
Exact Mass 515.291674 g/mol
Enantiomer InChIKey WBWWGRHZICKQGZ-QLEPVAKDSA-N

View Spectrum of Taurocholic acid

MS (GC) Spectrum
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Source of Spectrum BS-5-89-0
2-[[(4R)-1-oxo-4-[(3R,5R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]ethanesulfonic acid
TCA;Y-4
N-(2-THIOETHYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-AMIDE
#2;N-(3-AMINOPROPYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OYL-DITIHIOCARBAMATE-OF-N-(3-AMMONIUMPROPYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDRO
Glycocholic acid-(glycyl-1-13C) monohydrate
Glycocholic acid
Sodium glycocholate hydrate
Glycocholic acid dihydrate
[(3,7,12-Trihydroxy-24-oxocholan-24-yl)amino]acetic acid
Methyl glycoallocholate

This compound is available in the following databases:

Wiley Registry of Tandem Mass Spectral Data: MS for ID
Author: Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria

The Wiley Registry® of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. Learn more.

KnowItAll Mass Spectral Library
Author: Wiley

The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.

Wiley Registry of Mass Spectral Data 2023
Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.

Other Resources
Unknown Identification

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