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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
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
1112 May 2005  M[NIST] 
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
chromatogram4091ED46
citation 
authorsFiehn O, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date26 November 2004
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)3.193,18 (predicted, according to Strehmel, N. et.al)
base peak (m/z)129
maximal intensity999
mass-intensity-peaks cardinality245 intensities
minimal m/z85
maximal m/z460
download JCAMP DXSpectrumJcampDx.ashx?id=f6f81010-2806-486f-ba0b-604fcc1fdce3
download MSPSpectrumMsp.ashx?id=f6f81010-2806-486f-ba0b-604fcc1fdce3

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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