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Estradiol, 17beta- (2TMS)

 

Replica Mass Spectra of Estradiol, 17beta- (2TMS)

replicalib entry datedetectionmethodspecies
212 May 2005  M[NIST] 
412 May 2005  M[NIST] 
512 May 2005  M[NIST] 
930 March 2011  Fiehn_GC_2010 
619 July 2007 MS-TOFVAR5Reference Substance
725 January 2005 MS-TOFM[MOR] 
6 spectrum(a)
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Spectrum Details

analyteEstradiol, 17beta- (2TMS)
analyte InChIInChI=1S/C24H40O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,11,16,20-23H,8,10,12-15H2,1-7H3/t20-,21-,22+,23+,24+/m1/s1
analyte mass416.74
chromatogram6028hf_42
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)945.34
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity1.025.837
mass-intensity-peaks cardinality447 intensities
minimal m/z45
maximal m/z995
download JCAMP DXSpectrumJcampDx.ashx?id=e2448d0e-d8fe-4533-b2eb-15bcc4c52acd
download MSPSpectrumMsp.ashx?id=e2448d0e-d8fe-4533-b2eb-15bcc4c52acd

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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