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Details of Adipic acid (2TMS)

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Role Analyte
nameAdipic acid (2TMS)
MPIMP IDA151006
isotopomerambient
formulaC12H26O4Si2
molecular mass290.504
monoisotopic mass290.13696
InChIInChI=1S/C12H26O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-10H2,1-6H3
InChIKeyDVGSOFSBBKDKRU-UHFFFAOYSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,500.92
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2751faf0b4-e944-4c53-8811-03994db6257e%27)

Synonyms of Adipic acid (2TMS)

Metabolite mapped to Adipic acid (2TMS)

metabolitestereoisomerisotopomer
Adipic acidn- ambient
1 metabolite(s)

Reference spectra of Adipic acid (2TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
25/12/2005 12:00:00 AM M[NIST] 
146/5/2013 12:39:00 PM MRI_2013 
39/7/2004 12:00:00 AM M[2]Arabidopsis thaliana
47/19/2007 11:16:30 AM MDN35Reference Substance
123/30/2011 4:52:37 PM Fiehn_GC_2010 
55/12/2005 12:00:00 AM M[NIST] 
138/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
69/1/2001 12:00:00 AM M[2]Standard Addition
75/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
14 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 03/01/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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