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Tryptophan (3TMS)


Replica Mass Spectra of Tryptophan (3TMS)

replicalib entry datedetectionmethodspecies
3328 August 2012  MassBank GC 2010 Kusano 
128 June 2002 MS-QuadM[7]Standard
219 July 2007 MS-TOFVAR5Reference Substance
312 May 2005  M[NIST] 
522 January 2005 MS-QUADM[ROE] 
3428 August 2012  MassBank GC 2010 Tsujimoto 
619 July 2007 MS-TOFMDN35Reference Substance
701 May 2001 MS-TOFM[EIGTMS]Standard Addition
801 December 2002 MS-QuadM[2]Medicago truncatula Gaertn.
919 July 2007 MS-TOFVAR5Reference Substance
35 spectrum(a)
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Spectrum Details

analyteTryptophan (3TMS)
analyte InChIInChI=1S/C20H36N2O2Si3/c1-25(2,3)21-18(20(23)24-27(7,8)9)14-16-15-22(26(4,5)6)19-13-11-10-12-17(16)19/h10-13,15,18,21H,14H2,1-9H3/t18-/m0/s1
analyte mass420.77
citationSchauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
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 September 2001
metabolite roleMETB
retention time (sec)1,952.46
retention index (VAR5 method, n-alkanes C10–C36)2.215,95 (predicted, according to Strehmel, N. et.al)
base peak (m/z)202
maximal intensity999
mass-intensity-peaks cardinality50 intensities
minimal m/z41
maximal m/z405
download JCAMP DXSpectrumJcampDx.ashx?id=1d3f72cc-e1ee-4ec6-b0c3-181676c0bb74
download MSPSpectrumMsp.ashx?id=1d3f72cc-e1ee-4ec6-b0c3-181676c0bb74


citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detectorMS-Quadm/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, 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: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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