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Homocysteine (2TMS)

 

Replica Mass Spectra of Homocysteine (2TMS)

replicalib entry datedetectionmethodspecies
219 July 2007 MS-TOFVAR5Reference Substance
301 April 2002 MS-QuadM[2]Standard
419 July 2007 MS-TOFVAR5Reference Substance
505 June 2013  MRI_2013 
4 spectrum(a)
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Spectrum Details

analyteHomocysteine (2TMS)
analyte InChI
analyte mass279.55
chromatogram4132GX28
citation 
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date15 March 2005
metabolite roleMETB
retention time (sec)969.84
retention index (VAR5 method, n-alkanes C10–C36)1.582,08 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality85 intensities
minimal m/z70
maximal m/z281
download JCAMP DXSpectrumJcampDx.ashx?id=71174840-41d8-4740-a114-1fe6584a96d7
download MSPSpectrumMsp.ashx?id=71174840-41d8-4740-a114-1fe6584a96d7

GC-Method

nameM[6]
citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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