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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
1228 August 2012  MassBank GC 2010 Tsujimoto 
701 January 2002 MS-TOFM[EIGTMS]Standard
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
chromatogram6073hf_17
citation 
authorsBoelling 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 date19 July 2007
metabolite roleMETB
retention time (sec)733.39
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity209.433
mass-intensity-peaks cardinality645 intensities
minimal m/z45
maximal m/z1.000
download JCAMP DXSpectrumJcampDx.ashx?id=fa3614eb-3eba-45e8-8309-84bd44569a52
download MSPSpectrumMsp.ashx?id=fa3614eb-3eba-45e8-8309-84bd44569a52

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN: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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