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Aspartic acid (3TMS)

 

Replica Mass Spectra of Aspartic acid (3TMS)

replicalib entry datedetectionmethodspecies
3628 August 2012  MassBank GC 2010 Ara 
326 November 2004  M[FAME4090]Standard
401 February 2005 MS-TOFM[6]Reference Substance
3905 June 2013  MRI_2013 
501 June 2001 MS-TOFM[EIGTMS]Standard
626 November 2004  M[FAME4090]Standard
801 May 2001 MS-TOFM[EIGTMS]Standard Addition
1101 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
1201 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
1311 September 2005  M[FAME4090]Standard
28 spectrum(a)
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Spectrum Details

analyteAspartic acid (3TMS)
analyte InChIInChI=1S/C13H31NO4Si3/c1-19(2,3)14-11(13(16)18-21(7,8)9)10-12(15)17-20(4,5)6/h11,14H,10H2,1-9H3/t11-/m0/s1
analyte mass349.65
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)1.510,63 (predicted, according to Strehmel, N. et.al)
base peak (m/z)232
maximal intensity999
mass-intensity-peaks cardinality117 intensities
minimal m/z70
maximal m/z350
download JCAMP DXSpectrumJcampDx.ashx?id=928974a3-78cf-4e58-bba3-08e78c0dfe08
download MSPSpectrumMsp.ashx?id=928974a3-78cf-4e58-bba3-08e78c0dfe08

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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