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Indole-3-acetonitrile (1TMS)

 

Replica Mass Spectra of Indole-3-acetonitrile (1TMS)

replicalib entry datedetectionmethodspecies
1028 August 2012  MassBank GC 2010 Kusano 
1128 August 2012  MassBank GC 2010 Ara 
119 July 2007 MS-TOFVAR5Reference Substance
222 February 2005 MS-TOFM[STR] 
401 February 2005 MS-TOFM[6]Reference Substance
519 July 2007 MS-TOFMDN35Reference Substance
719 March 2010 MS-TOFVAR5Arabidopsis Thaliana
612 May 2005  M[NIST] 
930 March 2011  Fiehn_GC_2010 
9 spectrum(a)
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Spectrum Details

analyteIndole-3-acetonitrile (1TMS)
analyte 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
analyte mass228.37
chromatogram10300xx_41
citationNA
authorsKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date05 June 2013
metabolite role 
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,862.11 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity495,347
mass-intensity-peaks cardinality269 intensities
minimal m/z60
maximal m/z550
download JCAMP DXSpectrumJcampDx.ashx?id=a791c903-018f-4de7-b044-a8a9b7bce46d
download MSPSpectrumMsp.ashx?id=a791c903-018f-4de7-b044-a8a9b7bce46d

GC-Method

nameMRI_2013
citation 
no method details available

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