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Isoleucine (2TMS)

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Replica Mass Spectra of Isoleucine (2TMS)

replica	lib entry date	detection	method	species
1	11 September 2005		M[FAME4090]	Standard
35	28 August 2012		MassBank GC 2010 Tsujimoto
2	01 June 2001	MS-TOF	M[EIGTMS]	Reference Substance
3	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
4	01 September 2001	MS-Quad	M[2]	Standard Addition
5	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
6	12 October 2005	MS-TRAP	M[BAR]
7	19 January 2005	MS-QUAD	M[ROE]
8	12 May 2005		M[NIST]
9	01 May 2001	MS-TOF	M[EIGTMS]	Standard
34 spectrum(a)
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Spectrum Details

analyte	Isoleucine (2TMS)
analyte InChI	InChI=1S/C12H29NO2Si2/c1-9-10(2)11(13-16(3,4)5)12(14)15-17(6,7)8/h10-11,13H,9H2,1-8H3/t10-,11-/m0/s1
analyte mass	275.54
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)	1,023.6
retention index (VAR5 method, n-alkanes C10–C36)	1,288.09 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	158
maximal intensity	999
mass-intensity-peaks cardinality	110 intensities
minimal m/z	39
maximal m/z	262
download JCAMP DX	SpectrumJcampDx.ashx?id=c6c593ad-4f5c-4671-a0e0-465bc36d0a0d
download MSP	SpectrumMsp.ashx?id=c6c593ad-4f5c-4671-a0e0-465bc36d0a0d

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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