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Details of Acetic acid, 3,4-dihydroxyphenyl- (3TMS)

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Role Analyte
nameAcetic acid, 3,4-dihydroxyphenyl- (3TMS)
MPIMP IDA182021
isotopomerambient
formulaC17H32O4Si3
molecular mass384.690
monoisotopic mass384.16084
InChIInChI=1S/C17H32O4Si3/c1-22(2,3)19-15-11-10-14(12-16(15)20-23(4,5)6)13-17(18)21-24(7,8)9/h10-12H,13H2,1-9H3
InChIKeyRYYDTJQPEUISHG-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,823.79
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27d1b0cc6a-a3f4-4cdf-b89d-f648ca87c707%27)

Synonyms of Acetic acid, 3,4-dihydroxyphenyl- (3TMS)

propertyvalue
ChemSpider ID460764
PubChem CID528669
synonymAcetic acid, 3,4-dihydroxyphenyl- (3TMS)
synonymB000037
4 synonym(s)

Metabolite mapped to Acetic acid, 3,4-dihydroxyphenyl- (3TMS)

Reference spectra of Acetic acid, 3,4-dihydroxyphenyl- (3TMS)

replicaentry datedetectionmethodspecies
68/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
17/19/2007 11:16:30 AM MDN35Reference Substance
33/30/2011 4:52:37 PM Fiehn_GC_2010 
78/28/2012 5:51:49 PM MassBank GC 2010 Ara 
43/30/2011 4:52:37 PM Fiehn_GC_2010 
58/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
86/5/2013 12:39:00 PM MRI_2013 
27/19/2007 11:16:30 AM VAR5Reference Substance
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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service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
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