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Cystathionine (4TMS)

 

Replica Mass Spectra of Cystathionine (4TMS)

replicalib entry datedetectionmethodspecies
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 
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
chromatogramNA(_27)
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authorsBarsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date12 October 2005
metabolite roleMETB
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 intensity999
mass-intensity-peaks cardinality204 intensities
minimal m/z55
maximal m/z514
download JCAMP DXSpectrumJcampDx.ashx?id=a01d49e7-eaed-46a2-8f5c-03a3d4bab5a1
download MSPSpectrumMsp.ashx?id=a01d49e7-eaed-46a2-8f5c-03a3d4bab5a1

GC-Method

nameM[BAR]
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA 
derivatizationMEOX; TMSMethoxyamination:90min37°C; Trimethylsilylation:30min37°C
detectorMS-TRAPMZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extractionmethanol:water (4:1; v/v); 70°C 
ion sourceEI70eV
metabolic inactivationfiltration; liquid nitrogen; lyophilization 
partitioningnone 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN: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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