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Cystathionine (4TMS)

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Replica Mass Spectra of Cystathionine (4TMS)

replica	lib entry date	detection	method	species
1	12 October 2005	MS-TRAP	M[BAR]
13	28 August 2012		MassBank GC 2010 Ara
2	01 April 2002	MS-Quad	M[2]	Standard
4	25 January 2005	MS-TOF	M[MOR]
10	03 November 2010		Schomburg_GC_2010
14	28 August 2012		MassBank GC 2010 Ara
5	19 July 2007	MS-TOF	VAR5	Reference Substance
6	19 July 2007	MS-TOF	MDN35	Reference Substance
12	28 August 2012		MassBank GC 2010 Tsujimoto
7	01 January 2002	MS-TOF	M[EIGTMS]	Standard
14 spectrum(a)
Page of 2 Results per page:

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Spectrum Details

analyte	Cystathionine (4TMS)
analyte InChI	InChI=1S/C19H46N2O4SSi4/c1-27(2,3)20-16(18(22)24-29(7,8)9)13-14-26-15-17(21-28(4,5)6)19(23)25-30(10,11)12/h16-17,20-21H,13-15H2,1-12H3/t16-,17?/m0/s1
analyte mass	510.99
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)	1,959.12
retention index (VAR5 method, n-alkanes C10–C36)	2,198.56 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	60 intensities
minimal m/z	44
maximal m/z	510
download JCAMP DX	SpectrumJcampDx.ashx?id=41590968-e149-480f-a8a3-3aafa1000f3f
download MSP	SpectrumMsp.ashx?id=41590968-e149-480f-a8a3-3aafa1000f3f

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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