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Lanosterol (1TMS)

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Replica Mass Spectra of Lanosterol (1TMS)

replica	lib entry date	detection	method	species
1	08 December 2005	MS-TOF	M[MOR]
2	01 September 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
3	12 May 2005		M[NIST]
4	19 July 2007	MS-TOF	VAR5	Reference Substance
5	19 July 2007	MS-TOF	MDN35	Reference Substance
11	30 March 2011		Fiehn_GC_2010
6	01 December 2002	MS-Quad	M[2]	Cucurbita pepo
8	19 July 2007	MS-TOF	VAR5	Reference Substance
9	01 January 2003	MS-Quad	M[2]	Standard
10	25 January 2005	MS-TOF	M[MOR]
10 spectrum(a)

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Spectrum Details

analyte	Lanosterol (1TMS)
analyte InChI	InChI=1S/C33H58OSi/c1-23(2)13-12-14-24(3)25-17-21-33(8)27-15-16-28-30(4,5)29(34-35(9,10)11)19-20-31(28,6)26(27)18-22-32(25,33)7/h13,24-25,28-29H,12,14-22H2,1-11H3/t24-,25-,28+,29+,31-,32-,33+/m1/s1
analyte mass	498.9
chromatogram	6069hf_45
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)	1,105.28
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	69
maximal intensity	62,206
mass-intensity-peaks cardinality	604 intensities
minimal m/z	45
maximal m/z	999
download JCAMP DX	SpectrumJcampDx.ashx?id=b12e0823-47c7-461b-93d8-b40c46bed525
download MSP	SpectrumMsp.ashx?id=b12e0823-47c7-461b-93d8-b40c46bed525

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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