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Ergosterol (1TMS)

 

Replica Mass Spectra of Ergosterol (1TMS)

replicalib entry datedetectionmethodspecies
212 May 2005  M[NIST] 
315 March 2005 MS-TOFM[6]Reference Substance
401 October 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
530 March 2011  Fiehn_GC_2010 
4 spectrum(a)
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Spectrum Details

analyteErgosterol (1TMS)
analyte InChIInChI=1S/C31H52OSi/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/h10-13,21-23,25,27-29H,14-20H2,1-9H3/b11-10+/t22-,23+,25-,27+,28-,29-,30-,31+/m0/s1
analyte mass468.83
chromatogram4091ED50
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)3.276,35 (predicted, according to Strehmel, N. et.al)
base peak (m/z)143
maximal intensity999
mass-intensity-peaks cardinality279 intensities
minimal m/z85
maximal m/z495
download JCAMP DXSpectrumJcampDx.ashx?id=72d90b30-fe5c-4e7f-bd46-31cde71ee6da
download MSPSpectrumMsp.ashx?id=72d90b30-fe5c-4e7f-bd46-31cde71ee6da

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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