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Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP

 

Replica Mass Spectra of Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP

replicalib entry datedetectionmethodspecies
222 February 2005 MS-TOFM[STR] 
730 March 2011  Fiehn_GC_2010 
322 February 2005 MS-TOFM[STR] 
905 June 2013  MRI_2013 
412 May 2005  M[NIST] 
603 November 2010  Schomburg_GC_2010 
512 April 2010 MS-TOFVAR5Reference Substance
828 August 2012  MassBank GC 2010 Tsujimoto 
8 spectrum(a)
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Spectrum Details

analytePyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP
analyte InChIInChI=1S/C16H27NO4Si2/c1-19-17-15(16(18)21-23(5,6)7)12-13-8-10-14(11-9-13)20-22(2,3)4/h8-11H,12H2,1-7H3/b17-15-
analyte mass353.56
chromatogram6069hf_36
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 roleMST
retention time (sec)665.14
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity1.219.881
mass-intensity-peaks cardinality370 intensities
minimal m/z45
maximal m/z967
download JCAMP DXSpectrumJcampDx.ashx?id=7508f46a-70b0-43eb-b5b6-0421ff41c0e8
download MSPSpectrumMsp.ashx?id=7508f46a-70b0-43eb-b5b6-0421ff41c0e8

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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