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Pantothenic acid, D- (3TMS)

 

Replica Mass Spectra of Pantothenic acid, D- (3TMS)

replicalib entry datedetectionmethodspecies
1328 August 2012  MassBank GC 2010 Tsujimoto 
201 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
312 October 2005 MS-TRAPM[BAR] 
401 October 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
1228 August 2012  MassBank GC 2010 Kusano 
616 June 2005 MS-TOFM[STR] 
916 April 2010 MS-TOFVAR5Reference Substance
1505 June 2013  MRI_2013 
701 January 2003 MS-QuadM[2]Standard
826 November 2004  M[FAME4090]Standard
13 spectrum(a)
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Spectrum Details

analytePantothenic acid, D- (3TMS)
analyte InChIInChI=1S/C18H41NO5Si3/c1-18(2,14-22-25(3,4)5)16(24-27(9,10)11)17(21)19-13-12-15(20)23-26(6,7)8/h16H,12-14H2,1-11H3,(H,19,21)/t16-/m0/s1
analyte mass435.78
chromatogramNA(_49)
citation 
authorsRoessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date19 January 2005
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1.985,87 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality261 intensities
minimal m/z70
maximal m/z436
download JCAMP DXSpectrumJcampDx.ashx?id=012bf307-239b-49c7-a7e2-55f0e9048f21
download MSPSpectrumMsp.ashx?id=012bf307-239b-49c7-a7e2-55f0e9048f21

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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