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Isoleucine (2TMS)

 

Replica Mass Spectra of Isoleucine (2TMS)

replicalib entry datedetectionmethodspecies
111 September 2005  M[FAME4090]Standard
3528 August 2012  MassBank GC 2010 Tsujimoto 
201 June 2001 MS-TOFM[EIGTMS]Reference Substance
301 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
401 September 2001 MS-QuadM[2]Standard Addition
501 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
612 October 2005 MS-TRAPM[BAR] 
812 May 2005  M[NIST] 
901 May 2001 MS-TOFM[EIGTMS]Standard
1022 February 2005 MS-TOFM[STR] 
34 spectrum(a)
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Spectrum Details

analyteIsoleucine (2TMS)
analyte InChIInChI=1S/C12H29NO2Si2/c1-9-10(2)11(13-16(3,4)5)12(14)15-17(6,7)8/h10-11,13H,9H2,1-8H3/t10-,11-/m0/s1
analyte mass275.54
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)1.288,09 (predicted, according to Strehmel, N. et.al)
base peak (m/z)158
maximal intensity999
mass-intensity-peaks cardinality91 intensities
minimal m/z71
maximal m/z361
download JCAMP DXSpectrumJcampDx.ashx?id=fc9ad492-dc9e-48bc-bc15-39445600a00f
download MSPSpectrumMsp.ashx?id=fc9ad492-dc9e-48bc-bc15-39445600a00f

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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