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Malic acid, 2-methyl- (3TMS)

 

Replica Mass Spectra of Malic acid, 2-methyl- (3TMS)

replicalib entry datedetectionmethodspecies
101 February 2005 MS-TOFM[6]Reference Substance
211 September 2005  M[FAME4090]Standard
301 May 2001 MS-TOFM[EIGTMS]Arabidopsis thaliana
419 July 2007 MS-TOFVAR5Reference Substance
519 January 2005 MS-QUADM[ROE] 
601 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
819 July 2007 MS-TOFMDN35Reference Substance
901 July 2001 MS-QuadM[2]Reference Substance
1001 October 2001 MS-TOFM[EIGTMS]Standard Addition
1930 March 2011  Fiehn_GC_2010 
20 spectrum(a)
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Spectrum Details

analyteMalic acid, 2-methyl- (3TMS)
analyte InChIInChI=1S/C14H32O5Si3/c1-14(19-22(8,9)10,13(16)18-21(5,6)7)11-12(15)17-20(2,3)4/h11H2,1-10H3
analyte mass 
chromatogram6046hf_40
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)414.38
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity1.457.362
mass-intensity-peaks cardinality731 intensities
minimal m/z45
maximal m/z1.000
download JCAMP DXSpectrumJcampDx.ashx?id=e821c012-3269-4ffc-879f-54d295bb15c6
download MSPSpectrumMsp.ashx?id=e821c012-3269-4ffc-879f-54d295bb15c6

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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