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Details of Itaconic acid (2TMS)

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Role Analyte
nameItaconic acid (2TMS)
MPIMP IDA135004
isotopomerambient
formulaC11H22O4Si2
molecular mass274.461
monoisotopic mass274.10566
InChIInChI=1S/C11H22O4Si2/c1-9(11(13)15-17(5,6)7)8-10(12)14-16(2,3)4/h1,8H2,2-7H3
InChIKeyIYEWOPPVIQNFQO-UHFFFAOYSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,339.09
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2738bd9057-f141-47cf-9b95-626069311f16%27)

Synonyms of Itaconic acid (2TMS)

Metabolite mapped to Itaconic acid (2TMS)

Reference spectra of Itaconic acid (2TMS)

replicaentry datedetectionmethodspecies
111/26/2004 12:00:00 AM M[FAME4090]Standard
25/12/2005 12:00:00 AM M[NIST] 
35/1/2001 12:00:00 AM M[EIGTMS]Arabidopsis thaliana
1011/3/2010 4:21:59 PM Schomburg_GC_2010 
412/22/2005 12:00:00 AM M[FAME4090] 
126/5/2013 12:39:00 PM MRI_2013 
113/30/2011 4:52:37 PM Fiehn_GC_2010 
55/12/2005 12:00:00 AM M[NIST] 
67/19/2007 11:16:30 AM VAR5Reference Substance
85/12/2005 12:00:00 AM M[NIST] 
11 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 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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