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Indole-3-acetonitrile (1TMS)

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

replica	lib entry date	detection	method	species
10	28 August 2012		MassBank GC 2010 Kusano
11	28 August 2012		MassBank GC 2010 Ara
1	19 July 2007	MS-TOF	VAR5	Reference Substance
4	01 February 2005	MS-TOF	M[6]	Reference Substance
5	19 July 2007	MS-TOF	MDN35	Reference Substance
7	19 March 2010	MS-TOF	VAR5	Arabidopsis Thaliana
12	05 June 2013		MRI_2013
6	12 May 2005		M[NIST]
9	30 March 2011		Fiehn_GC_2010
9 spectrum(a)

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Spectrum Details

analyte	Indole-3-acetonitrile (1TMS)
analyte InChI	InChI=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 mass	228.37
chromatogram	NA(_46)
citation	Strelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
authors	Strelkov S, University of Cologne, CUBIC - Institute of Biochemistry, Department Prof. Schomburg, Zuelpicher Str. 47, D-50674 Cologne, Germany
lib entry date	22 February 2005
metabolite role	METB
retention time (sec)	1,733.4
retention index (VAR5 method, n-alkanes C10–C36)	1,884.5 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	228
maximal intensity	999
mass-intensity-peaks cardinality	84 intensities
minimal m/z	37
maximal m/z	542
download JCAMP DX	SpectrumJcampDx.ashx?id=8b44b97c-c598-4a44-b7b6-22c146fd3466
download MSP	SpectrumMsp.ashx?id=8b44b97c-c598-4a44-b7b6-22c146fd3466

GC-Method

name	M[STR]
citation	Strelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861

attribute	text	details
detector	MS-TOF
ion source	EI	70eV
RI	ALKANE	C10, C12, C15, C19, C22, C28, C32, C36
separation	GC	DB-5MS column (30m x 0.25µm) from J&W Scientific (Folsom, USA)

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