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Campesterol (1TMS)

 

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Replica Mass Spectra of Campesterol (1TMS)

replica	lib entry date	detection	method	species
2	01 June 2003	MS-Quad	M[2]	Markhamia acuminata
3	01 June 2003	MS-Quad	M[2]	Kigelia africana (Lam.) Benth.
4	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
5	12 May 2005		M[NIST]
6	01 May 2001	MS-TOF	M[EIGTMS]	Reference Substance
7	01 May 2003	MS-Quad	M[2]	Newbouldia laevis (P. Beauv.) Seem. ex Bureau
8	22 January 2005	MS-QUAD	M[ROE]
9	01 January 2003	MS-Quad	M[2]	Standard
11	25 January 2005	MS-TOF	M[MOR]
9 spectrum(a)

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Spectrum Details

analyte	Campesterol (1TMS)
analyte InChI	InChI=1S/C31H56OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h12,21-23,25-29H,10-11,13-20H2,1-9H3/t22-,23-,25+,26+,27?,28+,29+,30+,31-/m1/s1
analyte mass	472.86
chromatogram	NA(_04)
citation
authors	Moritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date	08 December 2005
metabolite role	MST
retention time (sec)	502
retention index (VAR5 method, n-alkanes C10–C36)	3,298.18 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	129
maximal intensity	999
mass-intensity-peaks cardinality	272 intensities
minimal m/z	50
maximal m/z	475
download JCAMP DX	SpectrumJcampDx.ashx?id=1d9f56e7-25aa-4363-8e0c-015cf1bd434f
download MSP	SpectrumMsp.ashx?id=1d9f56e7-25aa-4363-8e0c-015cf1bd434f

GC-Method

name	M[MOR]
citation	Gullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295

attribute	text	details
deconvolution	ChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USA	OFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatization	MEOX; TMS	METHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detector	MS-TOF	m/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extraction	methanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C
ion source	EI	70eV
metabolic inactivation	cut; liquid nitrogen; -80°C
partitioning	none
RI	ALKANE	C12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C

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