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Details of Nonanoic acid methyl ester (FAME MIX)

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Role Analyte
nameNonanoic acid methyl ester (FAME MIX)
MPIMP IDA123006
isotopomerambient
formulaC10H20O2
molecular mass172.265
monoisotopic mass172.14633
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChIKeyIJXHLVMUNBOGRR-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O1
retention index (VAR5 method, n-alkanes C10–C36)1,225.27
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%279fc84b34-da35-40aa-9df2-ace87c6e3070%27)

Synonyms of Nonanoic acid methyl ester (FAME MIX)

propertyvalue
BRENDA59822
CAS1731-84-6
ChEBI IDCHEBI:44499
ChEBI ontologyhas role antifungal drug
ChEBI ontologyhas role epitope
ChEBI ontologyhas role fragrance
ChEBI ontologyis a carboxylic ester
ChemSpider ID14846
Method [J Kopka]Methylation
PubChem CID15606
22 synonym(s)

Metabolite mapped to Nonanoic acid methyl ester (FAME MIX)

Reference spectra of Nonanoic acid methyl ester (FAME MIX)

replicaentry datedetectionmethodspecies
22/22/2005 12:00:00 AM M[STR] 
103/30/2011 4:52:37 PM Fiehn_GC_2010 
610/8/2009 2:06:12 PM VAR5Reference Substance
810/8/2009 2:31:39 PM VAR5Reference Substance
710/8/2009 2:19:32 PM VAR5Reference Substance
410/8/2009 1:37:48 PM VAR5Reference Substance
32/22/2005 12:00:00 AM M[STR] 
510/8/2009 1:51:10 PM VAR5Reference Substance
911/3/2010 4:23:55 PM Schomburg_GC_2010 
9 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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