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1,3-Dihydroxyacetone phosphate (1MEOX) (3TMS) BP

 

Replica Mass Spectra of 1,3-Dihydroxyacetone phosphate (1MEOX) (3TMS) BP

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFVAR5Reference Substance
903 November 2010  Schomburg_GC_2010 
1030 March 2011  Fiehn_GC_2010 
230 October 2003 MS-QuadM[2]Brassica napus
424 September 2004 MS-QuadM[2]Reference Substance
522 February 2005 MS-TOFM[STR] 
722 February 2005 MS-TOFM[STR] 
819 July 2007 MS-TOFMDN35Reference Substance
8 spectrum(a)
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Spectrum Details

analyte1,3-Dihydroxyacetone phosphate (1MEOX) (3TMS) BP
analyte InChI
analyte mass415.64
chromatogram4149GX11
citation 
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date15 March 2005
metabolite roleMETB
retention time (sec)1,087.09
retention index (VAR5 method, n-alkanes C10–C36)1.744,62 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality179 intensities
minimal m/z70
maximal m/z403
download JCAMP DXSpectrumJcampDx.ashx?id=3c9923bf-c278-4614-8aa9-7c383282cd8c
download MSPSpectrumMsp.ashx?id=3c9923bf-c278-4614-8aa9-7c383282cd8c

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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