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Details of Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-, n- (1TMS)

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Role Analyte
nameOctadecatrienoic acid, 9,12,15-(Z,Z,Z)-, n- (1TMS)
MPIMP IDA222003
isotopomerambient
formulaC21H38O2Si
molecular mass350.611
monoisotopic mass350.26411
InChIInChI=1S/C21H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h6-7,9-10,12-13H,5,8,11,14-20H2,1-4H3/b7-6-,10-9-,13-12-
InChIKeyDCFAEXKJEMZTKR-QNEBEIHSSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,217.41
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%275e697847-5da7-4617-bb5b-44fe52e501b2%27)

Synonyms of Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-, n- (1TMS)

propertyvalue
ChemSpider ID4518282
1 synonym(s)

Metabolite mapped to Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-, n- (1TMS)

Reference spectra of Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-, n- (1TMS)

replicaentry datedetectionmethodspecies
16/1/2001 12:00:00 AM M[EIGTMS]Standard
25/12/2005 12:00:00 AM M[NIST] 
39/7/2004 12:00:00 AM M[2]Nicotiana tabacum
41/25/2005 12:00:00 AM M[MOR] 
65/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
85/1/2003 12:00:00 AM M[2]Spathodea campanulata P. Beauv.
98/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
7 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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