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

Lithocholic acid (2TMS)

 

Replica Mass Spectra of Lithocholic acid (2TMS)

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFVAR5Reference Substance
1 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteLithocholic acid (2TMS)
analyte InChIInChI=1S/C30H56O3Si2/c1-21(10-15-28(31)33-35(7,8)9)25-13-14-26-24-12-11-22-20-23(32-34(4,5)6)16-18-29(22,2)27(24)17-19-30(25,26)3/h21-27H,10-20H2,1-9H3/t21-,22?,23-,24+,25-,26+,27+,29+,30-/m1/s1
analyte mass520.94
chromatogram6023hf_29
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 role 
retention time (sec)1,091.96
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)75
maximal intensity197,890
mass-intensity-peaks cardinality468 intensities
minimal m/z45
maximal m/z972
download JCAMP DXSpectrumJcampDx.ashx?id=6c99c989-e4fa-4f4d-969f-f31d329f6114
download MSPSpectrumMsp.ashx?id=6c99c989-e4fa-4f4d-969f-f31d329f6114

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

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