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Butane, 1,2,4-trihydroxy- (3TMS)

 

Replica Mass Spectra of Butane, 1,2,4-trihydroxy- (3TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
419 July 2007 MS-TOFVAR5Reference Substance
612 May 2005  M[NIST] 
726 November 2004  M[FAME4090]Standard
4 spectrum(a)
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Spectrum Details

analyteButane, 1,2,4-trihydroxy- (3TMS)
analyte InChIInChI=1S/C13H34O3Si3/c1-17(2,3)14-11-10-13(16-19(7,8)9)12-15-18(4,5)6/h13H,10-12H2,1-9H3
analyte mass322.66
chromatogram6030hf_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)333.89
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)103
maximal intensity2.169.319
mass-intensity-peaks cardinality269 intensities
minimal m/z45
maximal m/z998
download JCAMP DXSpectrumJcampDx.ashx?id=39951a3a-b80d-4e98-85ca-23cbfbf9ca89
download MSPSpectrumMsp.ashx?id=39951a3a-b80d-4e98-85ca-23cbfbf9ca89

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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