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Tocopherol, alpha- (1TMS)

 

Replica Mass Spectra of Tocopherol, alpha- (1TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
201 May 2001 MS-TOFM[EIGTMS]Arabidopsis thaliana
407 September 2004 MS-TOFM[6]Standard Addition
1828 August 2012  MassBank GC 2010 Kusano 
523 December 2003 MS-QuadM[2]Ovis aries
601 December 2002 MS-QuadM[2]Cucurbita pepo
701 October 2001 MS-QuadM[2]Standard
911 September 2005  M[FAME4090]Standard
1730 March 2011  Fiehn_GC_2010 
1025 January 2005 MS-TOFM[MOR] 
16 spectrum(a)
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Spectrum Details

analyteTocopherol, alpha- (1TMS)
analyte InChIInChI=1S/C32H58O2Si/c1-23(2)15-12-16-24(3)17-13-18-25(4)19-14-21-32(8)22-20-29-28(7)30(34-35(9,10)11)26(5)27(6)31(29)33-32/h23-25H,12-22H2,1-11H3/t24-,25-,32-/m1/s1
analyte mass502.89
chromatogramNA(_49)
citation 
authorsRoessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date22 January 2005
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)3,160.75 (predicted, according to Strehmel, N. et.al)
base peak (m/z)502
maximal intensity999
mass-intensity-peaks cardinality158 intensities
minimal m/z70
maximal m/z508
download JCAMP DXSpectrumJcampDx.ashx?id=a0e5fa14-5aad-47eb-aba5-75927d3ee1d0
download MSPSpectrumMsp.ashx?id=a0e5fa14-5aad-47eb-aba5-75927d3ee1d0

GC-Method

nameM[ROE]
citationU. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087
attributetextdetails
deconvolutionXcalibur program 
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detectorMS-QUADm/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extractionmethanol:chloroform 
ion sourceEI70eV
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

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