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Cholesterol (1TMS)

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Replica Mass Spectra of Cholesterol (1TMS)

replica	lib entry date	detection	method	species
1	01 June 2003	MS-Quad	M[2]	Markhamia acuminata
2	01 May 2003	MS-Quad	M[2]	Newbouldia laevis (P. Beauv.) Seem. ex Bureau
19	30 March 2011		Fiehn_GC_2010
3	12 May 2005		M[NIST]
5	01 January 2003	MS-Quad	M[2]	Standard
6	26 November 2004		M[FAME4090]	Standard
7	16 September 2004	MS-Quad	M[2]	Reference Substance
8	23 December 2003	MS-Quad	M[2]	Ovis aries
9	12 May 2005		M[NIST]
10	01 May 2001	MS-TOF	M[EIGTMS]	Solanum tuberosum
17 spectrum(a)
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Spectrum Details

analyte	Cholesterol (1TMS)
analyte InChI	InChI=1S/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22-,24?,25+,26-,27+,28+,29+,30-/m1/s1
analyte mass	458.84
chromatogram	6069hf_46
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	METB
retention time (sec)	1,053.34
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	129
maximal intensity	231,644
mass-intensity-peaks cardinality	450 intensities
minimal m/z	45
maximal m/z	1,000
download JCAMP DX	SpectrumJcampDx.ashx?id=ec32f379-6956-4750-b41a-f063f3dd480e
download MSP	SpectrumMsp.ashx?id=ec32f379-6956-4750-b41a-f063f3dd480e

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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