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Cystathionine (4TMS)

 

Replica Mass Spectra of Cystathionine (4TMS)

replicalib entry datedetectionmethodspecies
112 October 2005 MS-TRAPM[BAR] 
1328 August 2012  MassBank GC 2010 Ara 
201 April 2002 MS-QuadM[2]Standard
322 February 2005 MS-TOFM[STR] 
425 January 2005 MS-TOFM[MOR] 
1003 November 2010  Schomburg_GC_2010 
1428 August 2012  MassBank GC 2010 Ara 
519 July 2007 MS-TOFVAR5Reference Substance
619 July 2007 MS-TOFMDN35Reference Substance
1228 August 2012  MassBank GC 2010 Tsujimoto 
14 spectrum(a)
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Spectrum Details

analyteCystathionine (4TMS)
analyte InChIInChI=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 mass510.99
chromatogram10300xx_41
citationNA
authorsKopka 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 date05 June 2013
metabolite role 
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)2.203,35 (predicted, according to Strehmel, N. et.al)
base peak (m/z)128
maximal intensity1.332.097
mass-intensity-peaks cardinality387 intensities
minimal m/z60
maximal m/z549
download JCAMP DXSpectrumJcampDx.ashx?id=28619926-377f-4659-b649-fba485be76a1
download MSPSpectrumMsp.ashx?id=28619926-377f-4659-b649-fba485be76a1

GC-Method

nameMRI_2013
citation 
no method details available

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