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Details of Hippuric acid (2TMS)

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Role Analyte
nameHippuric acid (2TMS)
MPIMP IDA184021
isotopomerambient
formulaC15H25NO3Si2
molecular mass323.535
monoisotopic mass323.13730
InChIInChI=1S/C15H25NO3Si2/c1-20(2,3)16(12-14(17)19-21(4,5)6)15(18)13-10-8-7-9-11-13/h7-11H,12H2,1-6H3
InChIKeyISPSCQNROBRNPC-UHFFFAOYSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,805.41
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27ed7cb2ee-7092-494f-9cca-98c844074f7d%27)

Synonyms of Hippuric acid (2TMS)

Metabolite mapped to Hippuric acid (2TMS)

Reference spectra of Hippuric acid (2TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
73/30/2011 4:52:37 PM Fiehn_GC_2010 
211/26/2004 12:00:00 AM M[FAME4090]Reference Substance
37/19/2007 11:16:30 AM VAR5Reference Substance
45/12/2005 12:00:00 AM M[NIST] 
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] 
8 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.
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