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Cystathionine (4TMS)

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Replica Mass Spectra of Cystathionine (4TMS)

replica	lib entry date	detection	method	species
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
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)
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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(_27)
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authors	Barsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date	12 October 2005
metabolite role	METB
retention time (sec)	2,214.6
retention index (VAR5 method, n-alkanes C10–C36)	2,198.56 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	218
maximal intensity	999
mass-intensity-peaks cardinality	204 intensities
minimal m/z	55
maximal m/z	514
download JCAMP DX	SpectrumJcampDx.ashx?id=a01d49e7-eaed-46a2-8f5c-03a3d4bab5a1
download MSP	SpectrumMsp.ashx?id=a01d49e7-eaed-46a2-8f5c-03a3d4bab5a1

GC-Method

name	M[BAR]
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA
derivatization	MEOX; TMS	Methoxyamination:90min37°C; Trimethylsilylation:30min37°C
detector	MS-TRAP	MZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extraction	methanol:water (4:1; v/v); 70°C
ion source	EI	70eV
metabolic inactivation	filtration; liquid nitrogen; lyophilization
partitioning	none
RI	ALKANE	C12, C15, C18, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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