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Cholesterol, 22(S)-hydroxy- (2TMS)

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Replica Mass Spectra of Cholesterol, 22(S)-hydroxy- (2TMS)

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	Cholesterol, 22(S)-hydroxy- (2TMS)
analyte InChI	InChI=1S/C33H62O2Si2/c1-23(2)12-17-31(35-37(9,10)11)24(3)28-15-16-29-27-14-13-25-22-26(34-36(6,7)8)18-20-32(25,4)30(27)19-21-33(28,29)5/h13,23-24,26-31H,12,14-22H2,1-11H3/t24-,26?,27-,28+,29-,30-,31-,32-,33+/m0/s1
analyte mass	547.02
chromatogram	6028hf_38
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)	1,071.89
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	173
maximal intensity	561,412
mass-intensity-peaks cardinality	499 intensities
minimal m/z	45
maximal m/z	997
download JCAMP DX	SpectrumJcampDx.ashx?id=046b56b5-e6f7-43f7-9715-fe8765752254
download MSP	SpectrumMsp.ashx?id=046b56b5-e6f7-43f7-9715-fe8765752254

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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