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Details of Docosanoic acid methyl ester (FAME MIX)

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Role	Analyte
name	Docosanoic acid methyl ester (FAME MIX)
MPIMP ID	A254005
isotopomer	ambient
formula	C23H46O2
molecular mass	354.611
monoisotopic mass	354.34978
InChI	InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
InChIKey	QSQLTHHMFHEFIY-UHFFFAOYSA-N
substructure TMS	0
substructure TBS	0
substructure H3ON	0
substructure CH3O	1
retention index (VAR5 method, n-alkanes C10–C36)	2,548.56
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27c444918b-abde-4650-8507-da7e3aac54eb%27)

Synonyms of Docosanoic acid methyl ester (FAME MIX)

property	value
CAS	929-77-1
ChemSpider ID	12995
Method [J Kopka]	Methylation
PubChem CID	13584
PubChem SID	92298547
synonym	Behenic acid methyl ester
synonym	Docosanoic acid methyl ester
synonym	Docosanoic acid methyl ester (FAME MIX)
synonym	Docosanoic acid methyl ester, n-
9 synonym(s)

Metabolite mapped to Docosanoic acid methyl ester (FAME MIX)

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

Reference spectra of Docosanoic acid methyl ester (FAME MIX)

replica	entry date	method	species
8	10/8/2009 2:31:39 PM	VAR5	Reference Substance
9	3/30/2011 4:52:37 PM	Fiehn_GC_2010
6	10/8/2009 2:06:13 PM	VAR5	Reference Substance
7	10/8/2009 2:19:32 PM	VAR5	Reference Substance
11	6/5/2013 12:39:00 PM	MRI_2013
1	1/22/2005 12:00:00 AM	M[ROE]
5	10/8/2009 1:51:10 PM	VAR5	Reference Substance
2	9/7/2004 12:00:00 AM	M[6]	Standard Addition
4	10/8/2009 1:37:48 PM	VAR5	Reference Substance
3	5/12/2005 12:00:00 AM	M[NIST]
10 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 9/27/2012 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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