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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]
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
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	1135EC44
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
authors	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	01 May 2001
metabolite role	METB
retention time (sec)	1,200.8
retention index (VAR5 method, n-alkanes C10–C36)	3,385.93 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	129
maximal intensity	999
mass-intensity-peaks cardinality	190 intensities
minimal m/z	70
maximal m/z	489
download JCAMP DX	SpectrumJcampDx.ashx?id=09c26d28-f04a-4a31-8866-49980ec26bb3
download MSP	SpectrumMsp.ashx?id=09c26d28-f04a-4a31-8866-49980ec26bb3

GC-Method

name	M[EIGTMS]
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA	DIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatization	MEOX; TMS	Methoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detector	MS-TOF	MZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, USA
extraction	methanol:water (4:1; v/v); 15min70°C
ion source	EI	70eV
metabolic inactivation	cut; liquid nitrogen; -80°C
partitioning	methanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning
RI	ALKANE	C12, C15, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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