GOLM METABOLOME DATABASE
How would you rate the quality of this mass spectrum?
poor, not helpful 
 outstanding, most helpful.
This spectrum was 0 times rated; on average=0.0

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] 
1112 May 2005  M[NIST] 
17 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

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
chromatogram1135EC30
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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 May 2001
metabolite roleMETB
retention time (sec)1,151.22
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 cardinality81 intensities
minimal m/z75
maximal m/z580
download JCAMP DXSpectrumJcampDx.ashx?id=c42fd66b-3556-44e2-8fe7-8c2bba96baa8
download MSPSpectrumMsp.ashx?id=c42fd66b-3556-44e2-8fe7-8c2bba96baa8

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, 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:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

comments on this mass spectrum

Post a Comment
Name:
 
Website:
Email:
Comments:
service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
Top