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Glyceraldehyde-3-phosphate (1MEOX) (3TMS) BP


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

replicalib entry datedetectionmethodspecies
126 November 2004  M[FAME4090]Standard
1130 March 2011  Fiehn_GC_2010 
301 November 2001 MS-TOFM[EIGTMS]Standard
422 February 2005 MS-TOFM[STR] 
1003 November 2010  Schomburg_GC_2010 
712 May 2005  M[NIST] 
822 February 2005 MS-TOFM[STR] 
901 February 2005 MS-TOFM[6]Reference Substance
8 spectrum(a)
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Spectrum Details

analyteGlyceraldehyde-3-phosphate (1MEOX) (3TMS) BP
analyte InChIInChI=1S/C17H44NO7PSi4/c1-20-18-14-16(22-27(2,3)4)17(23-28(5,6)7)15-21-26(19,24-29(8,9)10)25-30(11,12)13/h14,16-17H,15H2,1-13H3/b18-14-/t16-,17+/m0/s1
analyte mass517.85
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 November 2001
metabolite roleMETB
retention time (sec)1,456.2
retention index (VAR5 method, n-alkanes C10–C36)1,700.08 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality50 intensities
minimal m/z43
maximal m/z385
download JCAMP DXSpectrumJcampDx.ashx?id=8e313ef3-4c9c-4d0e-8ef8-9cc62f06960b
download MSPSpectrumMsp.ashx?id=8e313ef3-4c9c-4d0e-8ef8-9cc62f06960b


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

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