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Fumaric acid, 2-methyl- (2TMS)


Replica Mass Spectra of Fumaric acid, 2-methyl- (2TMS)

replicalib entry datedetectionmethodspecies
628 August 2012  MassBank GC 2010 Kusano 
119 July 2007 MS-TOFMDN35Reference Substance
218 December 2004 MS-QuadM[2]Standard
805 June 2013  MRI_2013 
519 July 2007 MS-TOFVAR5Reference Substance
728 August 2012  MassBank GC 2010 Ara 
6 spectrum(a)
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Spectrum Details

analyteFumaric acid, 2-methyl- (2TMS)
analyte InChIInChI=1S/C11H22O4Si2/c1-9(11(13)15-17(5,6)7)8-10(12)14-16(2,3)4/h8H,1-7H3/b9-8+
analyte mass274.46
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 date18 December 2004
metabolite roleMETB
retention time (sec)1,179
retention index (VAR5 method, n-alkanes C10–C36)1,395.7 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality113 intensities
minimal m/z40
maximal m/z275
download JCAMP DXSpectrumJcampDx.ashx?id=4ed018b4-7859-4b9e-9fb6-abd1149554ea
download MSPSpectrumMsp.ashx?id=4ed018b4-7859-4b9e-9fb6-abd1149554ea


citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
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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