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Androst-4-en-3,17-dione, 11beta-hydroxy- (2MEOX) (1TMS) BP

 

Replica Mass Spectra of Androst-4-en-3,17-dione, 11beta-hydroxy- (2MEOX) (1TMS) BP

replicalib entry datedetectionmethodspecies
330 March 2011  Fiehn_GC_2010 
219 July 2007 MS-TOFVAR5Reference Substance
2 spectrum(a)
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Spectrum Details

analyteAndrost-4-en-3,17-dione, 11beta-hydroxy- (2MEOX) (1TMS) BP
analyte InChIInChI=1S/C24H40N2O3Si/c1-23-13-12-17(25-27-3)14-16(23)8-9-18-19-10-11-21(26-28-4)24(19,2)15-20(22(18)23)29-30(5,6)7/h14,18-20,22H,8-13,15H2,1-7H3/b25-17-,26-21-/t18-,19-,20-,22+,23-,24-/m0/s1
analyte mass432.67
chromatogram6028hf_58
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)1,051.04
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity130,536
mass-intensity-peaks cardinality594 intensities
minimal m/z45
maximal m/z1,000
download JCAMP DXSpectrumJcampDx.ashx?id=c2d48095-0a29-48df-aef2-8b0887c6753f
download MSPSpectrumMsp.ashx?id=c2d48095-0a29-48df-aef2-8b0887c6753f

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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