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Details of Kynurenic acid (2TMS)

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Role Analyte
nameKynurenic acid (2TMS)
MPIMP IDA207010
isotopomerambient
formulaC16H23NO3Si2
molecular mass333.530
monoisotopic mass333.12165
InChIInChI=1S/C16H23NO3Si2/c1-21(2,3)19-15-11-14(16(18)20-22(4,5)6)17-13-10-8-7-9-12(13)15/h7-11H,1-6H3
InChIKeyUWPAYSHAYKTMBD-UHFFFAOYSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,076.45
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27552167ea-0ee2-4ada-9f50-9f40cd95078e%27)

Synonyms of Kynurenic acid (2TMS)

propertyvalue
ChemSpider ID454297
PubChem CID520830
synonymB000630
synonymKynurenic acid (2TMS)
4 synonym(s)

Metabolite mapped to Kynurenic acid (2TMS)

Reference spectra of Kynurenic acid (2TMS)

replicaentry datedetectionmethodspecies
43/30/2011 4:52:37 PM Fiehn_GC_2010 
17/19/2007 11:16:30 AM VAR5Reference Substance
58/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
27/19/2007 11:16:30 AM MDN35Reference 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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