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Erythronic acid (4TMS)

 

Replica Mass Spectra of Erythronic acid (4TMS)

replicalib entry datedetectionmethodspecies
101 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
211 September 2005  M[FAME4090]Standard
301 October 2001 MS-TOFM[EIGTMS]Standard Addition
601 May 2001 MS-TOFM[EIGTMS]Standard Addition
701 December 2002 MS-QuadM[2]Medicago truncatula Gaertn.
801 May 2001 MS-TOFM[EIGTMS]Solanum tuberosum
1001 December 2002 MS-QuadM[2]Medicago truncatula Gaertn.
1217 March 2010 MS-TOFVAR5Solanum tuberosum
1101 September 2001 MS-QuadM[2]Standard Addition
2210 December 2010 MS-TOFVAR5 
11 spectrum(a)
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Spectrum Details

analyteErythronic acid (4TMS)
analyte InChIInChI=1S/C16H40O5Si4/c1-22(2,3)18-13-14(19-23(4,5)6)15(20-24(7,8)9)16(17)21-25(10,11)12/h14-15H,13H2,1-12H3/t14-,15-/m1/s1
analyte mass424.83
chromatogramNA(_49)
citation 
authorsRoessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date19 January 2005
metabolite roleMST
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1.530,36 (predicted, according to Strehmel, N. et.al)
base peak (m/z)147
maximal intensity999
mass-intensity-peaks cardinality252 intensities
minimal m/z70
maximal m/z467
download JCAMP DXSpectrumJcampDx.ashx?id=c68fe719-b48e-4bd5-a3c2-295b8dc7612f
download MSPSpectrumMsp.ashx?id=c68fe719-b48e-4bd5-a3c2-295b8dc7612f

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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