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Saccharic acid (6TMS)


Replica Mass Spectra of Saccharic acid (6TMS)

replicalib entry datedetectionmethodspecies
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
819 January 2005 MS-QUADM[ROE] 
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
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
authorsKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date01 October 2001
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 cardinality139 intensities
minimal m/z70
maximal m/z510
download JCAMP DXSpectrumJcampDx.ashx?id=b36b3490-60fb-447f-bc69-00ac27869703
download MSPSpectrumMsp.ashx?id=b36b3490-60fb-447f-bc69-00ac27869703


citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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