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Details of Octadecadienoic acid, 9,12-(Z,Z)- (1TMS)

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Role Analyte
nameOctadecadienoic acid, 9,12-(Z,Z)- (1TMS)
MPIMP IDA221003
isotopomerambient
formulaC21H40O2Si
molecular mass352.627
monoisotopic mass352.27976
InChIInChI=1S/C21H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h9-10,12-13H,5-8,11,14-20H2,1-4H3/b10-9-,13-12-
InChIKeyMXGBYOVWUYSJSN-UTJQPWESSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,209.91
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27252430cd-3eb1-4f64-a7c2-16c1f52b24c3%27)

Synonyms of Octadecadienoic acid, 9,12-(Z,Z)- (1TMS)

propertyvalue
ChemSpider ID4509322
PubChem CID5352430
2 synonym(s)

Metabolite mapped to Octadecadienoic acid, 9,12-(Z,Z)- (1TMS)

Reference spectra of Octadecadienoic acid, 9,12-(Z,Z)- (1TMS)

replicaentry datedetectionmethodspecies
133/30/2011 4:52:37 PM Fiehn_GC_2010 
25/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
148/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
37/19/2007 11:16:30 AM VAR5Reference Substance
49/7/2004 12:00:00 AM M[2] 
55/1/2001 12:00:00 AM M[EIGTMS]Standard
71/25/2005 12:00:00 AM M[MOR] 
81/22/2005 12:00:00 AM M[ROE] 
95/1/2001 12:00:00 AM M[EIGTMS]Solanum tuberosum
108/1/2001 12:00:00 AM M[2]Standard
11 spectrum(a)
    of 2    
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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