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Galactitol (6TMS)

 

Replica Mass Spectra of Galactitol (6TMS)

replicalib entry datedetectionmethodspecies
125 January 2005 MS-TOFM[MOR] 
212 May 2005  M[NIST] 
301 February 2005 MS-TOFM[6]Reference Substance
401 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
1528 August 2012  MassBank GC 2010 Kusano 
1728 August 2012  MassBank GC 2010 Ara 
619 July 2007 MS-TOFVAR5Reference Substance
1805 June 2013  MRI_2013 
719 July 2007 MS-TOFVAR5Reference Substance
801 July 2001 MS-QuadM[2]Standard
17 spectrum(a)
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Spectrum Details

analyteGalactitol (6TMS)
analyte InChIInChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3/t21-,22+,23+,24-
analyte mass615.26
chromatogram6082hf_55
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)572.29
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity872,877
mass-intensity-peaks cardinality607 intensities
minimal m/z45
maximal m/z1,000
download JCAMP DXSpectrumJcampDx.ashx?id=f140dadb-1bfe-4e98-9599-c3aa67d06e5c
download MSPSpectrumMsp.ashx?id=f140dadb-1bfe-4e98-9599-c3aa67d06e5c

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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