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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
3	22 February 2005	MS-TOF	M[STR]
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
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	6073hf_17
citation
authors	Boelling C, Liebig F, Erban A, Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date	19 July 2007
metabolite role	METB
retention time (sec)	733.39
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	209,433
mass-intensity-peaks cardinality	645 intensities
minimal m/z	45
maximal m/z	1,000
download JCAMP DX	SpectrumJcampDx.ashx?id=fa3614eb-3eba-45e8-8309-84bd44569a52
download MSP	SpectrumMsp.ashx?id=fa3614eb-3eba-45e8-8309-84bd44569a52

GC-Method

name	MDN35
citation	Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany

attribute	text	details
deconvolution	ChromaTOF	BASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detector	MS-TOF	m/z = 70-600; scans:20/s;
extraction	chloroform:dH2O	(2:1; v/v); chloroform (20°C); dH2O (4°C)
ion source	EI	70eV
RI	FAME, d6-Cholesterole	FAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separation	GC	COLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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