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

 

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

replicalib entry datedetectionmethodspecies
1003 November 2010  Schomburg_GC_2010 
201 November 2001 MS-TOFM[EIGTMS]Standard
301 February 2005 MS-TOFM[6]Reference Substance
401 November 2001 MS-QuadM[2]Standard
526 November 2004  M[FAME4090]Standard
622 February 2005 MS-TOFM[STR] 
822 February 2005 MS-TOFM[STR] 
1130 March 2011  Fiehn_GC_2010 
8 spectrum(a)
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Spectrum Details

analyteGlyceraldehyde-3-phosphate (1MEOX) (3TMS) MP
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
chromatogram4139GX16
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 date01 February 2005
metabolite roleMETB
retention time (sec)1,063.14
retention index (VAR5 method, n-alkanes C10–C36)1,712.49 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality236 intensities
minimal m/z70
maximal m/z415
download JCAMP DXSpectrumJcampDx.ashx?id=c93f0d62-7015-4c2d-95f7-c9a086b020bf
download MSPSpectrumMsp.ashx?id=c93f0d62-7015-4c2d-95f7-c9a086b020bf

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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