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Details of Kynurenine (3TMS)

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Role Analyte
nameKynurenine (3TMS)
MPIMP IDA218010
isotopomerambient
formulaC19H36N2O3Si3
molecular mass424.758
monoisotopic mass424.20337
InChIInChI=1S/C19H36N2O3Si3/c1-25(2,3)20-16-13-11-10-12-15(16)18(22)14-17(21-26(4,5)6)19(23)24-27(7,8)9/h10-13,17,20-21H,14H2,1-9H3/t17-/m0/s1
InChIKeyMGAWBUDKVLGSOC-KRWDZBQOSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,189.56
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%270e627bc8-3417-423c-b576-94f2100d1b60%27)

Synonyms of Kynurenine (3TMS)

propertyvalue
synonymB000632
synonymKynurenine (3TMS)
2 synonym(s)

Metabolite mapped to Kynurenine (3TMS)

metabolitestereoisomerisotopomer
Kynurenine  ambient
1 metabolite(s)

Reference spectra of Kynurenine (3TMS)

replicaentry datedetectionmethodspecies
311/3/2010 4:22:01 PM Schomburg_GC_2010 
58/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
17/19/2007 11:16:30 AM VAR5Reference Substance
27/19/2007 11:16:30 AM MDN35Reference Substance
43/30/2011 4:52:37 PM Fiehn_GC_2010 
5 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 8/9/2011 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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