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

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

replica	lib entry date	detection	method	species
1	19 July 2007	MS-TOF	VAR5	Reference Substance
1 spectrum(a)

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Spectrum Details

analyte	Pregnenolone, 17alpha-hydroxy- (1MEOX) (2TMS) MP
analyte InChI	InChI=1S/C28H51NO3Si2/c1-20(29-30-4)28(32-34(8,9)10)18-15-25-23-12-11-21-19-22(31-33(5,6)7)13-16-26(21,2)24(23)14-17-27(25,28)3/h11,22-25H,12-19H2,1-10H3/b29-20+/t22?,23-,24+,25+,26+,27+,28+/m1/s1
analyte mass	505.88
chromatogram	6028hf_36
citation
authors	Boelling 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 date	19 July 2007
metabolite role
retention time (sec)	986.39
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	517,288
mass-intensity-peaks cardinality	456 intensities
minimal m/z	45
maximal m/z	991
download JCAMP DX	SpectrumJcampDx.ashx?id=18f72f45-a23e-4127-b36d-93925eeb95cc
download MSP	SpectrumMsp.ashx?id=18f72f45-a23e-4127-b36d-93925eeb95cc

GC-Method

name	MDN35
citation	Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany

attribute	text	details
deconvolution	ChromaTOF	BASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detector	MS-TOF	m/z = 70-600; scans:20/s;
extraction	chloroform:dH2O	(2:1; v/v); chloroform (20°C); dH2O (4°C)
ion source	EI	70eV
RI	FAME, d6-Cholesterole	FAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separation	GC	COLUMN: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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