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Lanosterol (1TMS)

 

Replica Mass Spectra of Lanosterol (1TMS)

replicalib entry datedetectionmethodspecies
108 December 2005 MS-TOFM[MOR] 
312 May 2005  M[NIST] 
419 July 2007 MS-TOFVAR5Reference Substance
519 July 2007 MS-TOFMDN35Reference Substance
1130 March 2011  Fiehn_GC_2010 
601 December 2002 MS-QuadM[2]Cucurbita pepo
719 July 2007 MS-TOFMDN35Reference Substance
819 July 2007 MS-TOFVAR5Reference Substance
901 January 2003 MS-QuadM[2]Standard
1025 January 2005 MS-TOFM[MOR] 
10 spectrum(a)
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Spectrum Details

analyteLanosterol (1TMS)
analyte InChIInChI=1S/C33H58OSi/c1-23(2)13-12-14-24(3)25-17-21-33(8)27-15-16-28-30(4,5)29(34-35(9,10)11)19-20-31(28,6)26(27)18-22-32(25,33)7/h13,24-25,28-29H,12,14-22H2,1-11H3/t24-,25-,28+,29+,31-,32-,33+/m1/s1
analyte mass498.9
chromatogram1274EC11
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 September 2001
metabolite roleMETB
retention time (sec)1,199.1
retention index (VAR5 method, n-alkanes C10–C36)3,394.46 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality215 intensities
minimal m/z70
maximal m/z506
download JCAMP DXSpectrumJcampDx.ashx?id=e28f901b-8653-4db5-ad27-113ee6772f75
download MSPSpectrumMsp.ashx?id=e28f901b-8653-4db5-ad27-113ee6772f75

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

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