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Details of Octanoic acid methyl ester (FAME MIX)

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Role Analyte
nameOctanoic acid methyl ester (FAME MIX)
MPIMP IDA113005
isotopomerambient
formulaC9H18O2
molecular mass158.238
monoisotopic mass158.13068
InChIInChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKeyJGHZJRVDZXSNKQ-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O1
retention index (VAR5 method, n-alkanes C10–C36)1,120.51
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%271a56ee3e-501f-4327-a796-0b21c0cbd8bf%27)

Synonyms of Octanoic acid methyl ester (FAME MIX)

propertyvalue
BRENDA27955
CAS111-11-5
ChemSpider ID7800
Method [J Kopka]Methylation
PubChem CID8091
PubChem SID92297478
synonymOctanoic acid methyl ester
synonymOctanoic acid methyl ester, n-
synonymOctanoic acid, methyl ester
9 synonym(s)

Metabolite mapped to Octanoic acid methyl ester (FAME MIX)

Reference spectra of Octanoic acid methyl ester (FAME MIX)

replicaentry datedetectionmethodspecies
210/8/2009 1:37:48 PM VAR5Reference Substance
610/8/2009 2:31:39 PM VAR5Reference Substance
87/23/2012 11:16:37 AM VAR5 
410/8/2009 2:06:12 PM VAR5Reference Substance
310/8/2009 1:51:10 PM VAR5Reference Substance
5 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 03/01/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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