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Campesterol (1TMS)

 

Replica Mass Spectra of Campesterol (1TMS)

replicalib entry datedetectionmethodspecies
201 June 2003 MS-QuadM[2]Markhamia acuminata
301 June 2003 MS-QuadM[2]Kigelia africana (Lam.) Benth.
401 May 2001 MS-TOFM[EIGTMS]Standard Addition
512 May 2005  M[NIST] 
601 May 2001 MS-TOFM[EIGTMS]Reference Substance
701 May 2003 MS-QuadM[2]Newbouldia laevis (P. Beauv.) Seem. ex Bureau
822 January 2005 MS-QUADM[ROE] 
901 January 2003 MS-QuadM[2]Standard
1125 January 2005 MS-TOFM[MOR] 
9 spectrum(a)
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Spectrum Details

analyteCampesterol (1TMS)
analyte InChIInChI=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 mass472.86
chromatogramNA(_04)
citation 
authorsMoritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date08 December 2005
metabolite roleMST
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 intensity999
mass-intensity-peaks cardinality272 intensities
minimal m/z50
maximal m/z475
download JCAMP DXSpectrumJcampDx.ashx?id=1d9f56e7-25aa-4363-8e0c-015cf1bd434f
download MSPSpectrumMsp.ashx?id=1d9f56e7-25aa-4363-8e0c-015cf1bd434f

GC-Method

nameM[MOR]
citationGullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatizationMEOX; TMSMETHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detectorMS-TOFm/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningnone 
RIALKANEC12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separationGCCOLUMN: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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