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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
1112 June 2003 MS-QuadM[2]Arabidopsis thaliana
1201 February 2005 MS-TOFM[6]Reference Substance
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
chromatogram6030hf_62
citation 
authorsBoelling C, Liebig F, Erban A, Kopka 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 date19 July 2007
metabolite roleMETB
retention time (sec)612.14
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity397.433
mass-intensity-peaks cardinality636 intensities
minimal m/z45
maximal m/z1.000
download JCAMP DXSpectrumJcampDx.ashx?id=d753979b-e9b2-4737-b98d-580b9d632266
download MSPSpectrumMsp.ashx?id=d753979b-e9b2-4737-b98d-580b9d632266

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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