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Glycerol-3-phosphate (4TMS)

 

Replica Mass Spectra of Glycerol-3-phosphate (4TMS)

replicalib entry datedetectionmethodspecies
2928 August 2012  MassBank GC 2010 Ara 
2828 August 2012  MassBank GC 2010 Kusano 
201 November 2001 MS-QuadM[2]Standard
301 December 2003 MS-QuadM[2]Arabidopsis thaliana
401 November 2001 MS-TOFM[EIGTMS]Standard
512 May 2005  M[NIST] 
2603 November 2010  Schomburg_GC_2010 
719 January 2005 MS-QUADM[ROE] 
801 February 2005 MS-TOFM[6]Reference Substance
2730 March 2011  Fiehn_GC_2010 
26 spectrum(a)
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Spectrum Details

analyteGlycerol-3-phosphate (4TMS)
analyte InChIInChI=1S/C15H41O6PSi4/c1-23(2,3)18-14-15(19-24(4,5)6)13-17-22(16,20-25(7,8)9)21-26(10,11)12/h15H,13-14H2,1-12H3/t15-/m0/s1
analyte mass460.8
chromatogram1313EC75
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 October 2001
metabolite roleMETB
retention time (sec)651
retention index (VAR5 method, n-alkanes C10–C36)1.749,85 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality108 intensities
minimal m/z71
maximal m/z446
download JCAMP DXSpectrumJcampDx.ashx?id=668546a3-2409-45af-80c0-546989b35688
download MSPSpectrumMsp.ashx?id=668546a3-2409-45af-80c0-546989b35688

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
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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