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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
5	19 July 2007	MS-TOF	MDN35	Reference Substance
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
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	NA(_49)
citation
authors	Roessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date	22 January 2005
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	3,385.93 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	353 intensities
minimal m/z	70
maximal m/z	490
download JCAMP DX	SpectrumJcampDx.ashx?id=a2a36200-a269-4200-bf7d-e98d5b2f10f6
download MSP	SpectrumMsp.ashx?id=a2a36200-a269-4200-bf7d-e98d5b2f10f6

GC-Method

name	M[ROE]
citation	U. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087

attribute	text	details
deconvolution	Xcalibur program
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detector	MS-QUAD	m/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extraction	methanol:chloroform
ion source	EI	70eV
RI	ALKANE	C12, C15, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

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