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Muconic acid, trans,trans- (2TMS)

 

Replica Mass Spectra of Muconic acid, trans,trans- (2TMS)

replicalib entry datedetectionmethodspecies
330 March 2011  Fiehn_GC_2010 
119 July 2007 MS-TOFVAR5Reference Substance
2 spectrum(a)
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Spectrum Details

analyteMuconic acid, trans,trans- (2TMS)
analyte InChIInChI=1S/C12H22O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-10H,1-6H3/b9-7+,10-8+
analyte mass286.47
chromatogram6037hf_55
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 role 
retention time (sec)515.43
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)147
maximal intensity665,580
mass-intensity-peaks cardinality391 intensities
minimal m/z45
maximal m/z999
download JCAMP DXSpectrumJcampDx.ashx?id=ec80a3b4-c8b1-4673-b1e6-9c85deac5024
download MSPSpectrumMsp.ashx?id=ec80a3b4-c8b1-4673-b1e6-9c85deac5024

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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