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Fucosterol (1TMS)

 

Replica Mass Spectra of Fucosterol (1TMS)

replicalib entry datedetectionmethodspecies
201 May 2001 MS-TOFM[EIGTMS]Standard Addition
316 September 2004 MS-QuadM[2]Reference Substance
419 July 2007 MS-TOFVAR5Reference Substance
519 July 2007 MS-TOFMDN35Reference Substance
4 spectrum(a)
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Spectrum Details

analyteFucosterol (1TMS)
analyte InChIInChI=1S/C32H56OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h10,13,22-23,26-30H,11-12,14-21H2,1-9H3/b24-10+/t23-,26+,27+,28-,29+,30+,31+,32-/m1/s1
analyte mass484.87
chromatogram4149GX28
citation 
authorsLiebig F, Erban A, 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 February 2005
metabolite roleMETB
retention time (sec)1,939.65
retention index (VAR5 method, n-alkanes C10–C36)3.382,7 (predicted, according to Strehmel, N. et.al)
base peak (m/z)129
maximal intensity999
mass-intensity-peaks cardinality296 intensities
minimal m/z70
maximal m/z487
download JCAMP DXSpectrumJcampDx.ashx?id=9f834c3c-4c26-4cec-bb08-7bcdfcfa7a95
download MSPSpectrumMsp.ashx?id=9f834c3c-4c26-4cec-bb08-7bcdfcfa7a95

GC-Method

nameM[6]
citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III 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, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (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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