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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 
422 February 2005 MS-TOFM[STR] 
501 November 2001 MS-QuadM[2]Standard
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
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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) 
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 cardinality477 intensities
minimal m/z70
maximal m/z588
download JCAMP DXSpectrumJcampDx.ashx?id=fc613d79-5d99-4f51-9d47-65520bf04601
download MSPSpectrumMsp.ashx?id=fc613d79-5d99-4f51-9d47-65520bf04601


citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II 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, 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:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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