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Cholesterol (1TMS)

 

Replica Mass Spectra of Cholesterol (1TMS)

replicalib entry datedetectionmethodspecies
101 June 2003 MS-QuadM[2]Markhamia acuminata
201 May 2003 MS-QuadM[2]Newbouldia laevis (P. Beauv.) Seem. ex Bureau
1930 March 2011  Fiehn_GC_2010 
312 May 2005  M[NIST] 
501 January 2003 MS-QuadM[2]Standard
626 November 2004  M[FAME4090]Standard
716 September 2004 MS-QuadM[2]Reference Substance
823 December 2003 MS-QuadM[2]Ovis aries
912 May 2005  M[NIST] 
1001 May 2001 MS-TOFM[EIGTMS]Solanum tuberosum
17 spectrum(a)
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Spectrum Details

analyteCholesterol (1TMS)
analyte InChIInChI=1S/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22-,24?,25+,26-,27+,28+,29+,30-/m1/s1
analyte mass458.84
chromatogram6069hf_46
citation 
authorsBoelling 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 date19 July 2007
metabolite roleMETB
retention time (sec)1,053.34
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)129
maximal intensity231.644
mass-intensity-peaks cardinality450 intensities
minimal m/z45
maximal m/z1.000
download JCAMP DXSpectrumJcampDx.ashx?id=ec32f379-6956-4750-b41a-f063f3dd480e
download MSPSpectrumMsp.ashx?id=ec32f379-6956-4750-b41a-f063f3dd480e

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN: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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