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Pregn-4-ene-20alpha-ol-3-one (1MEOX) (1TMS) MP

 

Replica Mass Spectra of Pregn-4-ene-20alpha-ol-3-one (1MEOX) (1TMS) MP

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFVAR5Reference Substance
1 spectrum(a)
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Spectrum Details

analytePregn-4-ene-20alpha-ol-3-one (1MEOX) (1TMS) MP
analyte InChIInChI=1S/C25H43NO2Si/c1-17(28-29(5,6)7)21-10-11-22-20-9-8-18-16-19(26-27-4)12-14-24(18,2)23(20)13-15-25(21,22)3/h16-17,20-23H,8-15H2,1-7H3/b26-19+/t17-,20-,21+,22-,23-,24-,25+/m0/s1
analyte mass417.7
chromatogram6023hf_35
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 role 
retention time (sec)1,038.44
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)117
maximal intensity490.816
mass-intensity-peaks cardinality396 intensities
minimal m/z45
maximal m/z998
download JCAMP DXSpectrumJcampDx.ashx?id=252af06d-c375-4cb9-ade4-d8140e34307d
download MSPSpectrumMsp.ashx?id=252af06d-c375-4cb9-ade4-d8140e34307d

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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