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Details of Indole-3-acetonitrile (1TMS)

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Role Analyte
nameIndole-3-acetonitrile (1TMS)
MPIMP IDA188025
isotopomerambient
formulaC13H16N2Si
molecular mass228.366
monoisotopic mass228.10827
InChIInChI=1S/C13H16N2Si/c1-16(2,3)15-10-11(8-9-14)12-6-4-5-7-13(12)15/h4-7,10H,8H2,1-3H3
InChIKeyQIPOVLUFFYDMLH-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,889.41
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%279b473b5c-b3fc-4acd-bc65-90f32e980d16%27)

Synonyms of Indole-3-acetonitrile (1TMS)

propertyvalue
ChemSpider ID481400
PubChem CID553531
2 synonym(s)

Metabolite mapped to Indole-3-acetonitrile (1TMS)

Reference spectra of Indole-3-acetonitrile (1TMS)

replicaentry datedetectionmethodspecies
108/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
118/28/2012 5:51:49 PM MassBank GC 2010 Ara 
17/19/2007 11:16:30 AM VAR5Reference Substance
22/22/2005 12:00:00 AM M[STR] 
42/1/2005 12:00:00 AM M[6]Reference Substance
57/19/2007 11:16:30 AM MDN35Reference Substance
73/19/2010 9:06:35 AM VAR5Arabidopsis Thaliana
126/5/2013 12:39:00 PM MRI_2013 
65/12/2005 12:00:00 AM M[NIST] 
93/30/2011 4:52:37 PM Fiehn_GC_2010 
10 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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