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Pinitol, D- (5TMS)

 

Replica Mass Spectra of Pinitol, D- (5TMS)

replicalib entry datedetectionmethodspecies
101 February 2005 MS-TOFM[6]Reference Substance
208 December 2003 MS-QuadM[2]Standard
301 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
805 June 2013  MRI_2013 
612 October 2005 MS-TRAPM[BAR] 
701 May 2001 MS-TOFM[EIGTMS]Arabidopsis thaliana
6 spectrum(a)
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Spectrum Details

analytePinitol, D- (5TMS)
analyte InChIInChI=1S/C22H54O6Si5/c1-23-17-18(24-29(2,3)4)20(26-31(8,9)10)22(28-33(14,15)16)21(27-32(11,12)13)19(17)25-30(5,6)7/h17-22H,1-16H3/t17?,18-,19+,20-,21-,22?/m1/s1
analyte mass555.09
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)1,817.76 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality229 intensities
minimal m/z70
maximal m/z508
download JCAMP DXSpectrumJcampDx.ashx?id=9a2deccf-83f7-4808-bc98-b1d425340334
download MSPSpectrumMsp.ashx?id=9a2deccf-83f7-4808-bc98-b1d425340334

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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