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Details of Malonic acid (3TMS)

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Role Analyte
nameMalonic acid (3TMS)
MPIMP IDA139009
isotopomerambient
formulaC12H28O4Si3
molecular mass320.605
monoisotopic mass320.12954
InChIInChI=1S/C12H28O4Si3/c1-17(2,3)14-11(13)10-12(15-18(4,5)6)16-19(7,8)9/h10H,1-9H3
InChIKeyWGSJCFWDDBQNBV-UHFFFAOYSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,416.3
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27e11dd9eb-d1d3-4f8e-ac37-931f05c4eb69%27)

Synonyms of Malonic acid (3TMS)

Metabolite mapped to Malonic acid (3TMS)

Reference spectra of Malonic acid (3TMS)

replicaentry datedetectionmethodspecies
43/30/2011 4:52:37 PM Fiehn_GC_2010 
111/26/2004 12:00:00 AM M[FAME4090]Standard
25/12/2005 12:00:00 AM M[NIST] 
37/19/2007 11:16:30 AM VAR5Reference Substance
4 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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