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Valine (2TMS)

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Replica Mass Spectra of Valine (2TMS)

replica	lib entry date	detection	method	species
1	12 June 2003	MS-Quad	M[2]	Arabidopsis thaliana
2	23 August 2005		M[FAME4090]
28	03 November 2010		Schomburg_GC_2010
3	01 September 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
5	19 July 2007	MS-TOF	VAR5	Reference Substance
6	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
7	12 May 2005		M[NIST]
8	15 March 2005	MS-TOF	M[6]	Reference Substance
34	05 June 2013		MRI_2013
9	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
31 spectrum(a)
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Spectrum Details

analyte	Valine (2TMS)
analyte InChI	InChI=1S/C11H27NO2Si2/c1-9(2)10(12-15(3,4)5)11(13)14-16(6,7)8/h9-10,12H,1-8H3/t10-/m0/s1
analyte mass	261.51
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)
retention index (VAR5 method, n-alkanes C10–C36)	1,207.43 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	144
maximal intensity	999
mass-intensity-peaks cardinality	83 intensities
minimal m/z	39
maximal m/z	248
download JCAMP DX	SpectrumJcampDx.ashx?id=b5840c4c-100f-4ce2-bf5a-0e243a09aad5
download MSP	SpectrumMsp.ashx?id=b5840c4c-100f-4ce2-bf5a-0e243a09aad5

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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