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Cysteine (3TMS)


Replica Mass Spectra of Cysteine (3TMS)

replicalib entry datedetectionmethodspecies
125 January 2005 MS-TOFM[MOR] 
301 May 2001 MS-TOFM[EIGTMS]Standard
426 November 2004  M[FAME4090]Standard
519 July 2007 MS-TOFVAR5Reference Substance
619 July 2007 MS-TOFVAR5Reference Substance
1830 March 2011  Fiehn_GC_2010 
819 July 2007 MS-TOFMDN35Reference Substance
919 July 2007 MS-TOFMDN35Reference Substance
1617 March 2010 MS-TOFVAR5Brassica oleracea
1001 August 2001 MS-QuadM[2]Standard
13 spectrum(a)
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Spectrum Details

analyteCysteine (3TMS)
analyte InChIInChI=1S/C12H31NO2SSi3/c1-17(2,3)13-11(10-16-19(7,8)9)12(14)15-18(4,5)6/h11,13H,10H2,1-9H3/t11-/m0/s1
analyte mass337.7
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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 date01 June 2001
metabolite roleMETB
retention time (sec)581.46
retention index (VAR5 method, n-alkanes C10–C36)1,550.82 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality49 intensities
minimal m/z72
maximal m/z322
download JCAMP DXSpectrumJcampDx.ashx?id=1c19c32f-628f-4e63-9848-7979c22b58bf
download MSPSpectrumMsp.ashx?id=1c19c32f-628f-4e63-9848-7979c22b58bf


citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II 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, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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