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Galactonic acid (6TMS)


Replica Mass Spectra of Galactonic acid (6TMS)

replicalib entry datedetectionmethodspecies
126 November 2004  M[FAME4090]Standard
601 May 2001 MS-TOFM[EIGTMS]Standard Addition
715 March 2005 MS-TOFM[6]Reference Substance
819 July 2007 MS-TOFVAR5Reference Substance
901 January 2002 MS-TOFM[EIGTMS]Standard
1019 July 2007 MS-TOFMDN35Reference Substance
1112 June 2003 MS-QuadM[2]Arabidopsis thaliana
1301 December 2003 MS-QuadM[2]Standard
1519 July 2007 MS-TOFVAR5Reference Substance
1619 July 2007 MS-TOFMDN35Reference Substance
12 spectrum(a)
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Spectrum Details

analyteGalactonic acid (6TMS)
analyte InChIInChI=1S/C24H60O7Si6/c1-32(2,3)26-19-20(27-33(4,5)6)21(28-34(7,8)9)22(29-35(10,11)12)23(30-36(13,14)15)24(25)31-37(16,17)18/h20-23H,19H2,1-18H3/t20-,21+,22+,23-/m1/s1
analyte mass629.24
authorsLiebig F, Erban A, 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 February 2005
metabolite roleMETB
retention time (sec)1,253.65
retention index (VAR5 method, n-alkanes C10–C36)1,986.04 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality242 intensities
minimal m/z72
maximal m/z526
download JCAMP DXSpectrumJcampDx.ashx?id=6fccbd02-6e0e-4623-b99e-682cb2674213
download MSPSpectrumMsp.ashx?id=6fccbd02-6e0e-4623-b99e-682cb2674213


citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III 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, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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