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Succinic acid, 2,2,3,3-d4- (2TMS)


Replica Mass Spectra of Succinic acid, 2,2,3,3-d4- (2TMS)

replicalib entry datedetectionmethodspecies
101 February 2005 MS-TOFM[6]Reference Substance
1211 August 2008 MS-TOFVAR5na
210 February 2005 MS-TOFM[6]Oryza sativa
301 February 2005 MS-TOFM[6]Reference Substance
1520 August 2008 MS-TOFVAR5 
501 October 2001 MS-TOFM[EIGTMS]Standard Addition
615 March 2005 MS-TOFM[6]Reference Substance
710 February 2005 MS-TOFM[6]Oryza sativa
1620 August 2008 MS-TOFVAR5 
810 February 2005 MS-TOFM[6]Oryza sativa
15 spectrum(a)
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Spectrum Details

analyteSuccinic acid, 2,2,3,3-d4- (2TMS)
analyte InChI
analyte mass266
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 date10 February 2005
metabolite roleIS (QUAN)
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,307.82 (predicted, according to Strehmel, N. et.al)
base peak (m/z)147
maximal intensity999
mass-intensity-peaks cardinality115 intensities
minimal m/z72
maximal m/z265
download JCAMP DXSpectrumJcampDx.ashx?id=04fd73f8-d5ca-4a45-8e4b-3dd71adaaca6
download MSPSpectrumMsp.ashx?id=04fd73f8-d5ca-4a45-8e4b-3dd71adaaca6


citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
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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