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Details of Dodecanoic acid methyl ester (FAME MIX)

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Role	Analyte
name	Dodecanoic acid methyl ester (FAME MIX)
MPIMP ID	A153009
isotopomer	ambient
formula	C13H26O2
molecular mass	214.345
monoisotopic mass	214.19328
InChI	InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
InChIKey	UQDUPQYQJKYHQI-UHFFFAOYSA-N
substructure TMS	0
substructure TBS	0
substructure H3ON	0
substructure CH3O	1
retention index (VAR5 method, n-alkanes C10–C36)	1,526.4
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2777730007-072e-4c8a-8b4b-886e9c44946c%27)

Synonyms of Dodecanoic acid methyl ester (FAME MIX)

property	value
BRENDA	30010
CAS	111-82-0
ChemSpider ID	7847
Method [J Kopka]	Methylation
PubChem CID	8139
PubChem SID	92298136
synonym	C12acidMeO
synonym	Dodecanoic acid methyl ester
synonym	Dodecanoic acid methyl ester, n-
synonym	Dodecanoic acid, methyl ester
10 synonym(s)

Metabolite mapped to Dodecanoic acid methyl ester (FAME MIX)

metabolite	stereoisomer	isotopomer
Dodecanoic acid methyl ester (FAME MIX)	n-	ambient
1 metabolite(s)

Reference spectra of Dodecanoic acid methyl ester (FAME MIX)

replica	entry date	method	species
13	6/5/2013 12:39:00 PM	MRI_2013
6	10/8/2009 1:51:10 PM	VAR5	Reference Substance
12	7/23/2012 11:19:10 AM	VAR5
11	3/30/2011 4:52:37 PM	Fiehn_GC_2010
1	2/22/2005 12:00:00 AM	M[STR]
8	10/8/2009 2:19:32 PM	VAR5	Reference Substance
9	10/8/2009 2:31:39 PM	VAR5	Reference Substance
3	2/22/2005 12:00:00 AM	M[STR]
5	10/8/2009 1:37:48 PM	VAR5	Reference Substance
10	11/3/2010 4:23:38 PM	Schomburg_GC_2010
12 spectrum(a)
Page of 2 Results per page:

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.

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