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Details of Octadecenoic acid, 9-(E)- (1TMS)

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Role Analyte
nameOctadecenoic acid, 9-(E)- (1TMS)
MPIMP IDA223003
isotopomerambient
formulaC21H42O2Si
molecular mass354.643
monoisotopic mass354.29541
InChIInChI=1S/C21H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h12-13H,5-11,14-20H2,1-4H3/b13-12+
InChIKeyGAODWSYPSJBKGB-OUKQBFOZSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,225.44
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2734cef23b-ca62-4f92-a4ff-006a68a01592%27)

Synonyms of Octadecenoic acid, 9-(E)- (1TMS)

propertyvalue
ChemSpider ID4509323
PubChem CID5352431
2 synonym(s)

Metabolite mapped to Octadecenoic acid, 9-(E)- (1TMS)

Reference spectra of Octadecenoic acid, 9-(E)- (1TMS)

replicaentry datedetectionmethodspecies
11/25/2005 12:00:00 AM M[MOR] 
25/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
39/7/2004 12:00:00 AM M[2] 
45/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
55/12/2005 12:00:00 AM M[NIST] 
911/3/2010 4:22:39 PM Schomburg_GC_2010 
67/19/2007 11:16:30 AM MDN35Reference Substance
77/19/2007 11:16:30 AM VAR5Reference Substance
810/1/2001 12:00:00 AM M[EIGTMS]Saccharomyces cerevisiae
108/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
10 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 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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