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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] 
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
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
citationSchauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
authorsKopka 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 date01 January 2003
metabolite roleMETB
retention time (sec)2,697
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 cardinality221 intensities
minimal m/z41
maximal m/z461
download JCAMP DXSpectrumJcampDx.ashx?id=00a763f5-cff9-4b69-9960-5f033dcfa5ad
download MSPSpectrumMsp.ashx?id=00a763f5-cff9-4b69-9960-5f033dcfa5ad


citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detectorMS-Quadm/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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