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Saccharic acid (6TMS)

 

Replica Mass Spectra of Saccharic acid (6TMS)

replicalib entry datedetectionmethodspecies
101 October 2001 MS-TOFM[EIGTMS]Standard
201 November 2001 MS-QuadM[2]Standard
312 May 2005  M[NIST] 
2305 June 2013  MRI_2013 
419 July 2007 MS-TOFVAR5Reference Substance
501 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
601 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
701 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
901 June 2001 MS-TOFM[EIGTMS]Alyssum lesbiacum
2128 August 2012  MassBank GC 2010 Tsujimoto 
20 spectrum(a)
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Spectrum Details

analyteSaccharic acid (6TMS)
analyte InChIInChI=1S/C24H58O8Si6/c1-33(2,3)27-19(21(29-35(7,8)9)23(25)31-37(13,14)15)20(28-34(4,5)6)22(30-36(10,11)12)24(26)32-38(16,17)18/h19-22H,1-18H3/t19-,20-,21-,22+/m0/s1
analyte mass643.23
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)2.003,52 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality222 intensities
minimal m/z70
maximal m/z540
download JCAMP DXSpectrumJcampDx.ashx?id=c63910f5-d4ad-4376-b29c-312dc0c6df51
download MSPSpectrumMsp.ashx?id=c63910f5-d4ad-4376-b29c-312dc0c6df51

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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