How would you rate the quality of this mass spectrum?
poor, not helpful 
 outstanding, most helpful.
This spectrum was 0 times rated; on average=0.0

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
719 July 2007 MS-TOFMDN35Reference Substance
819 July 2007 MS-TOFMDN35Reference Substance
1001 October 2001 MS-TOFM[EIGTMS]Standard Addition
1930 March 2011  Fiehn_GC_2010 
20 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

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 
citationSchauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
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 date01 July 2001
metabolite roleMETB
retention time (sec)1,170.06
retention index (VAR5 method, n-alkanes C10–C36)1.464,97 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality50 intensities
minimal m/z41
maximal m/z350
download JCAMP DXSpectrumJcampDx.ashx?id=088dd47f-c51a-4e43-b79f-5d0ada98a91f
download MSPSpectrumMsp.ashx?id=088dd47f-c51a-4e43-b79f-5d0ada98a91f


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

comments on this mass spectrum

Post a Comment
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved