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Phenylpyruvic acid (1MEOX) (1TMS) MP

 

Replica Mass Spectra of Phenylpyruvic acid (1MEOX) (1TMS) MP

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
219 July 2007 MS-TOFVAR5Reference Substance
319 July 2007 MS-TOFMDN35Reference Substance
412 May 2005  M[NIST] 
722 February 2005 MS-TOFM[STR] 
1828 August 2012  MassBank GC 2010 Ara 
901 February 2005 MS-TOFM[6]Reference Substance
1630 March 2011  Fiehn_GC_2010 
1503 November 2010  Schomburg_GC_2010 
1728 August 2012  MassBank GC 2010 Kusano 
13 spectrum(a)
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Spectrum Details

analytePhenylpyruvic acid (1MEOX) (1TMS) MP
analyte InChIInChI=1S/C13H19NO3Si/c1-16-14-12(13(15)17-18(2,3)4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3/b14-12-
analyte mass265.38
chromatogram2233BN08
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 August 2002
metabolite roleMETB
retention time (sec)1,331.76
retention index (VAR5 method, n-alkanes C10–C36)1.588,56 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality71 intensities
minimal m/z41
maximal m/z295
download JCAMP DXSpectrumJcampDx.ashx?id=a858638c-ebc1-4bac-a57c-750243e6c4cc
download MSPSpectrumMsp.ashx?id=a858638c-ebc1-4bac-a57c-750243e6c4cc

GC-Method

nameM[2]
citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
attributetextdetails
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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