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Tyrosine (3TMS)


Replica Mass Spectra of Tyrosine (3TMS)

replicalib entry datedetectionmethodspecies
3228 August 2012  MassBank GC 2010 Ara 
3328 August 2012  MassBank GC 2010 Ara 
3428 August 2012  MassBank GC 2010 Ara 
226 November 2004  M[FAME4090]Standard
412 May 2005  M[NIST] 
2703 November 2010  Schomburg_GC_2010 
2830 March 2011  Fiehn_GC_2010 
3605 June 2013  MRI_2013 
711 September 2005  M[FAME4090]Standard
3528 August 2012  MassBank GC 2010 Ara 
24 spectrum(a)
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Spectrum Details

analyteTyrosine (3TMS)
analyte InChIInChI=1S/C18H35NO3Si3/c1-23(2,3)19-17(18(20)22-25(7,8)9)14-15-10-12-16(13-11-15)21-24(4,5)6/h10-13,17,19H,14H2,1-9H3
analyte mass397.73
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) 
retention index (VAR5 method, n-alkanes C10–C36)1.933,97 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality120 intensities
minimal m/z70
maximal m/z383
download JCAMP DXSpectrumJcampDx.ashx?id=61583bfb-caca-401a-8645-603a80821860
download MSPSpectrumMsp.ashx?id=61583bfb-caca-401a-8645-603a80821860


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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