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Leucine (1TMS)

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Replica Mass Spectra of Leucine (1TMS)

replica	lib entry date	detection	method	species
1	22 February 2005	MS-TOF	M[STR]
2	19 July 2007	MS-TOF	VAR5	Reference Substance
3	19 July 2007	MS-TOF	VAR5	Reference Substance
4	01 May 2001	MS-TOF	M[EIGTMS]	Reference Substance
6	15 March 2005	MS-TOF	M[6]	Reference Substance
7	30 March 2011		Fiehn_GC_2010
6 spectrum(a)

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Spectrum Details

analyte	Leucine (1TMS)
analyte InChI	InChI=1S/C9H21NO2Si/c1-7(2)6-8(10)9(11)12-13(3,4)5/h7-8H,6,10H2,1-5H3
analyte mass	203.35
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)	694.02
retention index (VAR5 method, n-alkanes C10–C36)	1,148.88 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	86
maximal intensity	999
mass-intensity-peaks cardinality	10 intensities
minimal m/z	65
maximal m/z	188
download JCAMP DX	SpectrumJcampDx.ashx?id=0ad01528-af20-43b4-928f-c8d7a3985b44
download MSP	SpectrumMsp.ashx?id=0ad01528-af20-43b4-928f-c8d7a3985b44

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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