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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 
315 March 2005 MS-TOFM[6]Reference Substance
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
chromatogram3219BF24
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 date30 October 2003
metabolite roleMETB
retention time (sec)1,549.2
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 cardinality197 intensities
minimal m/z41
maximal m/z495
download JCAMP DXSpectrumJcampDx.ashx?id=26289685-29e9-4d45-8dfc-2fe9a865982c
download MSPSpectrumMsp.ashx?id=26289685-29e9-4d45-8dfc-2fe9a865982c

GC-Method

nameM[2]
citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
attributetextdetails
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

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