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Phosphoenolpyruvic acid (3TMS)

 

Replica Mass Spectra of Phosphoenolpyruvic acid (3TMS)

replicalib entry datedetectionmethodspecies
905 June 2013  MRI_2013 
122 February 2005 MS-TOFM[STR] 
222 February 2005 MS-TOFM[STR] 
828 August 2012  MassBank GC 2010 Tsujimoto 
603 November 2010  Schomburg_GC_2010 
730 March 2011  Fiehn_GC_2010 
419 July 2007 MS-TOFVAR5Reference Substance
7 spectrum(a)
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Spectrum Details

analytePhosphoenolpyruvic acid (3TMS)
analyte InChIInChI=1S/C12H29O6PSi3/c1-11(12(13)16-20(2,3)4)15-19(14,17-21(5,6)7)18-22(8,9)10/h1H2,2-10H3
analyte mass384.59
chromatogram6069hf_8
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)511.88
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity383.080
mass-intensity-peaks cardinality479 intensities
minimal m/z45
maximal m/z998
download JCAMP DXSpectrumJcampDx.ashx?id=0a885bd8-bc28-405f-be81-6ead627d0160
download MSPSpectrumMsp.ashx?id=0a885bd8-bc28-405f-be81-6ead627d0160

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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