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Glyceric acid-3-phosphate (4TMS)

 

Replica Mass Spectra of Glyceric acid-3-phosphate (4TMS)

replicalib entry datedetectionmethodspecies
201 February 2005 MS-TOFM[6]Reference Substance
812 October 2005 MS-TRAPM[BAR] 
1015 March 2005 MS-TOFM[6]Reference Substance
1511 September 2005  M[FAME4090]Standard
1701 February 2005 MS-TOFM[6]Reference Substance
5 spectrum(a)
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Spectrum Details

analyteGlyceric acid-3-phosphate (4TMS)
analyte InChIInChI=1S/C15H39O7PSi4/c1-24(2,3)19-14(15(16)20-25(4,5)6)13-18-23(17,21-26(7,8)9)22-27(10,11)12/h14H,13H2,1-12H3/t14-/m0/s1
analyte mass474.78
chromatogram4173GX137
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)1,104.41
retention index (VAR5 method, n-alkanes C10–C36)1,792.12 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality173 intensities
minimal m/z70
maximal m/z462
download JCAMP DXSpectrumJcampDx.ashx?id=a116d1e6-18ab-4684-9a02-723e55425937
download MSPSpectrumMsp.ashx?id=a116d1e6-18ab-4684-9a02-723e55425937

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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