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Phenylpyruvic acid (1MEOX) (1TMS) BP

 

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

replicalib entry datedetectionmethodspecies
122 February 2005 MS-TOFM[STR] 
219 July 2007 MS-TOFVAR5Reference Substance
503 November 2010  Schomburg_GC_2010 
419 July 2007 MS-TOFVAR5Reference Substance
4 spectrum(a)
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Spectrum Details

analytePhenylpyruvic acid (1MEOX) (1TMS) BP
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
chromatogram6058hf_15
citation 
authorsBoelling C, Liebig F, Erban A, Kopka 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 date19 July 2007
metabolite roleMETB
retention time (sec)510.59
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity7.893
mass-intensity-peaks cardinality181 intensities
minimal m/z45
maximal m/z991
download JCAMP DXSpectrumJcampDx.ashx?id=16ddfff8-0d32-402a-b8d3-60126f9ad71a
download MSPSpectrumMsp.ashx?id=16ddfff8-0d32-402a-b8d3-60126f9ad71a

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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