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Malic acid (3TMS)

 

Replica Mass Spectra of Malic acid (3TMS)

replicalib entry datedetectionmethodspecies
309 December 2004 MS-TOFM[6]Oryza sativa
801 October 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
2 spectrum(a)
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Spectrum Details

analyteMalic acid (3TMS)
analyte InChI
analyte mass339
chromatogram4324GX57
citation 
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 date09 December 2004
metabolite roleIS (QUAN)
retention time (sec)916.73
retention index (VAR5 method, n-alkanes C10–C36)1.477,88 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality105 intensities
minimal m/z70
maximal m/z341
download JCAMP DXSpectrumJcampDx.ashx?id=aa1ee08c-296a-4f74-ab2c-1b1e0c8d1491
download MSPSpectrumMsp.ashx?id=aa1ee08c-296a-4f74-ab2c-1b1e0c8d1491

GC-Method

nameM[6]
citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, 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, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (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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