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Details of Octadecanoic acid (1TMS)

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Role Analyte
nameOctadecanoic acid (1TMS)
MPIMP IDA225002
isotopomerambient
formulaC21H44O2Si
molecular mass356.659
monoisotopic mass356.31106
InChIInChI=1S/C21H44O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h5-20H2,1-4H3
InChIKeyDDLPZVTUKLKVQB-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,243.49
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27f634c736-39e8-4323-8155-fa3cc26ac9e3%27)

Synonyms of Octadecanoic acid (1TMS)

propertyvalue
ChemSpider ID79191
PubChem CID87777
2 synonym(s)

Metabolite mapped to Octadecanoic acid (1TMS)

Reference spectra of Octadecanoic acid (1TMS)

replicaentry datedetectionmethodspecies
263/30/2011 4:52:37 PM Fiehn_GC_2010 
15/12/2005 12:00:00 AM M[NIST] 
25/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
243/19/2010 9:06:35 AM VAR5Arabidopsis Thaliana
39/7/2004 12:00:00 AM M[6]Standard Addition
49/1/2001 12:00:00 AM M[2]Standard Addition
233/17/2010 4:47:46 PM VAR5Brassica oleracea
610/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
75/12/2005 12:00:00 AM M[NIST] 
288/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
30 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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