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Cholecalciferol, 25-hydroxy- (2TMS) MP

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Replica Mass Spectra of Cholecalciferol, 25-hydroxy- (2TMS) MP

replica	lib entry date	detection	method	species
2	19 July 2007	MS-TOF	VAR5	Reference Substance
1 spectrum(a)

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Spectrum Details

analyte	Cholecalciferol, 25-hydroxy- (2TMS) MP
analyte InChI	InChI=1S/C33H60O2Si2/c1-25-16-19-29(34-36(6,7)8)24-28(25)18-17-27-15-13-23-33(5)30(20-21-31(27)33)26(2)14-12-22-32(3,4)35-37(9,10)11/h17-18,26,29-31H,1,12-16,19-24H2,2-11H3/b27-17+,28-18+/t26-,29+,30-,31?,33-/m1/s1
analyte mass	545
chromatogram	6069hf_31
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)	1,073.04
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	131
maximal intensity	390,673
mass-intensity-peaks cardinality	469 intensities
minimal m/z	45
maximal m/z	991
download JCAMP DX	SpectrumJcampDx.ashx?id=a56deb5e-aa15-4a69-9e01-0259f4df7279
download MSP	SpectrumMsp.ashx?id=a56deb5e-aa15-4a69-9e01-0259f4df7279

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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