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Inositol, allo- (6TMS)

 

Replica Mass Spectra of Inositol, allo- (6TMS)

replicalib entry datedetectionmethodspecies
101 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
630 March 2011  Fiehn_GC_2010 
219 July 2007 MS-TOFVAR5Reference Substance
312 May 2005  M[NIST] 
426 November 2004  M[FAME4090]Standard
5 spectrum(a)
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Spectrum Details

analyteInositol, allo- (6TMS)
analyte InChIInChI=1S/C24H60O6Si6/c1-31(2,3)25-19-20(26-32(4,5)6)22(28-34(10,11)12)24(30-36(16,17)18)23(29-35(13,14)15)21(19)27-33(7,8)9/h19-24H,1-18H3/t19-,20-,21-,22-,23-,24+
analyte mass613.24
chromatogram6060hf_61
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 roleMST
retention time (sec)536.03
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity146.977
mass-intensity-peaks cardinality446 intensities
minimal m/z45
maximal m/z998
download JCAMP DXSpectrumJcampDx.ashx?id=bc9768cc-6d7e-4fae-84af-d23567a50fbc
download MSPSpectrumMsp.ashx?id=bc9768cc-6d7e-4fae-84af-d23567a50fbc

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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