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Details of Dodecanoic acid methyl ester (FAME MIX)

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Role Analyte
nameDodecanoic acid methyl ester (FAME MIX)
MPIMP IDA153009
isotopomerambient
formulaC13H26O2
molecular mass214.345
monoisotopic mass214.19328
InChIInChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
InChIKeyUQDUPQYQJKYHQI-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O1
retention index (VAR5 method, n-alkanes C10–C36)1,526.4
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2777730007-072e-4c8a-8b4b-886e9c44946c%27)

Synonyms of Dodecanoic acid methyl ester (FAME MIX)

propertyvalue
BRENDA30010
CAS111-82-0
ChemSpider ID7847
Method [J Kopka]Methylation
PubChem CID8139
PubChem SID92298136
synonymC12acidMeO
synonymDodecanoic acid methyl ester
synonymDodecanoic acid methyl ester, n-
synonymDodecanoic acid, methyl ester
10 synonym(s)

Metabolite mapped to Dodecanoic acid methyl ester (FAME MIX)

Reference spectra of Dodecanoic acid methyl ester (FAME MIX)

replicaentry datedetectionmethodspecies
136/5/2013 12:39:00 PM MRI_2013 
610/8/2009 1:51:10 PM VAR5Reference Substance
127/23/2012 11:19:10 AM VAR5 
113/30/2011 4:52:37 PM Fiehn_GC_2010 
12/22/2005 12:00:00 AM M[STR] 
810/8/2009 2:19:32 PM VAR5Reference Substance
910/8/2009 2:31:39 PM VAR5Reference Substance
32/22/2005 12:00:00 AM M[STR] 
510/8/2009 1:37:48 PM VAR5Reference Substance
1011/3/2010 4:23:38 PM Schomburg_GC_2010 
12 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 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Kopka J., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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