GOLM METABOLOME DATABASE

Details of Hippuric acid (1TMS)

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol
Role Analyte
nameHippuric acid (1TMS)
MPIMP IDA184020
isotopomerambient
formulaC12H17NO3Si
molecular mass251.354
monoisotopic mass251.09777
InChIInChI=1S/C12H17NO3Si/c1-17(2,3)16-11(14)9-13-12(15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,15)
InChIKeyBKKRGGOJGSDXNW-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,854.69
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27c0ebbe1c-2211-4043-8c58-585e310b4a6d%27)

Synonyms of Hippuric acid (1TMS)

propertyvalue
CAS2078-24-2
ChemSpider ID453427
PubChem CID519818
synonymGlycine, N-benzoyl-, trimethylsilyl ester
synonymHippuric acid
5 synonym(s)

Metabolite mapped to Hippuric acid (1TMS)

Reference spectra of Hippuric acid (1TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
211/26/2004 12:00:00 AM M[FAME4090]Reference Substance
35/12/2005 12:00:00 AM M[NIST] 
96/5/2013 12:39:00 PM MRI_2013 
47/19/2007 11:16:30 AM VAR5Reference Substance
88/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
57/19/2007 11:16:30 AM MDN35Reference Substance
65/12/2005 12:00:00 AM M[NIST] 
73/30/2011 4:52:37 PM Fiehn_GC_2010 
9 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
service last updated 03/01/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
Top