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Details of Kynurenine (2TMS)

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Role Analyte
nameKynurenine (2TMS)
MPIMP IDA216013
isotopomerambient
formulaC16H28N2O3Si2
molecular mass352.577
monoisotopic mass352.16385
InChIInChI=1S/C16H28N2O3Si2/c1-22(2,3)18-14-10-8-7-9-12(14)15(19)11-13(17)16(20)21-23(4,5)6/h7-10,13,18H,11,17H2,1-6H3/t13-/m0/s1
InChIKeyXPHDHRYHRMJLGR-ZDUSSCGKSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,168.6
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27cc6a3e6e-a912-4961-b958-bbf388b537fc%27)

Synonyms of Kynurenine (2TMS)

propertyvalue
synonymB000631
synonymKynurenine (2TMS)
2 synonym(s)

Metabolite mapped to Kynurenine (2TMS)

metabolitestereoisomerisotopomer
Kynurenine  ambient
1 metabolite(s)

Reference spectra of Kynurenine (2TMS)

replicaentry datedetectionmethodspecies
311/3/2010 4:21:59 PM Schomburg_GC_2010 
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 
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 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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