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Progesterone, 17alpha-hydroxy- (2MEOX) (1TMS) MP

 

Replica Mass Spectra of Progesterone, 17alpha-hydroxy- (2MEOX) (1TMS) MP

replicalib entry datedetectionmethodspecies
219 July 2007 MS-TOFMDN35Reference Substance
1 spectrum(a)
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Spectrum Details

analyteProgesterone, 17alpha-hydroxy- (2MEOX) (1TMS) MP
analyte InChIInChI=1S/C26H44N2O3Si/c1-18(27-29-4)26(31-32(6,7)8)16-13-23-21-10-9-19-17-20(28-30-5)11-14-24(19,2)22(21)12-15-25(23,26)3/h17,21-23H,9-16H2,1-8H3/b27-18+,28-20+/t21-,22+,23+,24+,25+,26+/m1/s1
analyte mass460.73
chromatogram6026if_68
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)1,719.44
retention index (VAR5 method, n-alkanes C10–C36)3.032,17 (observed)
base peak (m/z)73
maximal intensity125.770
mass-intensity-peaks cardinality533 intensities
minimal m/z45
maximal m/z995
download JCAMP DXSpectrumJcampDx.ashx?id=f9120cc1-e27a-4160-a8cf-4f09c87e92a4
download MSPSpectrumMsp.ashx?id=f9120cc1-e27a-4160-a8cf-4f09c87e92a4

GC-Method

nameVAR5
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
deconvolutionChromaTOFOFFSET: "just above noise"; SMOOTHING: 20; PEAK WIDTH: 6; S/N: 2
derivatizationMEOX; TMSMETHOXYAMINATION: 90min at 30°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s; Pegasus III TOF mass spectrometer
extractionwater:chloroform (2:1; v/v) 15min at 70°C
gas chromatographAgilent GC 6890 
ion sourceEI70eV
mass spectrometry instrumentPegasus III TOF mass spectrometer 
metabolic inactivationshock-frozen in liquid nitrogen 
RIALKANEC10, C12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%phenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, 5PDM VF-5ms (Varian, Darmstadt, Germany); PROGRAM:iso1min 70°C, ramp 9°C/min, iso 5min 350°C; FLOW:Helium, 0.6mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C
protocolpropertyvalue
extractionwater chloroform(2:1; v/v) 15min at 70°C
derivatizationderivatisationMETHOXYAMINATION, 90min at 30°C
derivatizationderivatisationTRIMETHYLSILYLATION, 30min at 37°C
separationIon source temperature250°C
separationColumn length30+10m (analytical column + guard column)
separationColumn inner diameter0.25mm
separationTemperature programisotherm 1min 70°C, ramp 9°C/min, isotherm 5min 350°C
ion sourceelectron ionization70eV
detectorLECO instrument modelPegasus III TOF mass spectrometer
detectorhighest observed m/zm/z = 600
detectorlowest observed m/zm/z = 70
detectorsampling frequency20 scans/s
detectormass analyzer typeMS-TOF
deconvolutionmoving average smoothing20
deconvolutionsoftwareChromaTOF
deconvolutionsignal-to-noise ratio2
RIRetention indexdecane
RIRetention indexdodecane
RIRetention indexpentadecane
RIRetention indexoctadecane
RIRetention indexnonadecane
RIRetention indexdocosane
RIRetention indexoctacosane
RIRetention indexdotriacontane
RIRetention indexhexatriacontane
ChromatographyChromatographyAgilent GC 6890

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