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Sitosterol, beta- (1TMS)

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Replica Mass Spectra of Sitosterol, beta- (1TMS)

replica	lib entry date	detection	method	species
1	01 May 2003	MS-Quad	M[2]	Newbouldia laevis (P. Beauv.) Seem. ex Bureau
2	23 December 2003	MS-Quad	M[2]	Ovis aries
3	25 January 2005	MS-TOF	M[MOR]
4	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
6	01 June 2003	MS-Quad	M[2]	Markhamia acuminata
7	01 January 2003	MS-Quad	M[2]	Standard
8	12 May 2005		M[NIST]
9	19 July 2007	MS-TOF	VAR5	Reference Substance
10	22 January 2005	MS-QUAD	M[ROE]
11	01 June 2003	MS-Quad	M[2]	Kigelia africana (Lam.) Benth.
11 spectrum(a)
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Spectrum Details

analyte	Sitosterol, beta- (1TMS)
analyte InChI	InChI=1S/C32H58OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h13,22-24,26-30H,10-12,14-21H2,1-9H3/t23-,24-,26?,27+,28-,29+,30+,31+,32-/m1/s1
analyte mass	486.89
chromatogram	6087hf_27
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)	1,101.08
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	129,102
mass-intensity-peaks cardinality	755 intensities
minimal m/z	45
maximal m/z	1,000
download JCAMP DX	SpectrumJcampDx.ashx?id=6a95bcfb-bdde-4dab-964b-5c4bbe2d2bed
download MSP	SpectrumMsp.ashx?id=6a95bcfb-bdde-4dab-964b-5c4bbe2d2bed

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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