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Homocystine (4TMS)

 

Replica Mass Spectra of Homocystine (4TMS)

replicalib entry datedetectionmethodspecies
219 July 2007 MS-TOFVAR5Reference Substance
1328 August 2012  MassBank GC 2010 Ara 
419 July 2007 MS-TOFVAR5Reference Substance
928 August 2012  MassBank GC 2010 Kusano 
1028 August 2012  MassBank GC 2010 Kusano 
830 March 2011  Fiehn_GC_2010 
6 spectrum(a)
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Spectrum Details

analyteHomocystine (4TMS)
analyte InChIInChI=1S/C20H48N2O4S2Si4/c1-29(2,3)21-17(19(23)25-31(7,8)9)13-15-27-28-16-14-18(22-30(4,5)6)20(24)26-32(10,11)12/h17-18,21-22H,13-16H2,1-12H3
analyte mass557.08
chromatogram6030hf_30
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 role 
retention time (sec)851.08
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity428.953
mass-intensity-peaks cardinality323 intensities
minimal m/z45
maximal m/z999
download JCAMP DXSpectrumJcampDx.ashx?id=3e28c10e-23d0-465e-a6b5-c0758e013641
download MSPSpectrumMsp.ashx?id=3e28c10e-23d0-465e-a6b5-c0758e013641

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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