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Squalene, all-trans-

 

Replica Mass Spectra of Squalene, all-trans-

replicalib entry datedetectionmethodspecies
101 February 2005 MS-TOFM[6]Reference Substance
201 June 2003 MS-QuadM[2]Markhamia acuminata
319 July 2007 MS-TOFMDN35Reference Substance
930 March 2011  Fiehn_GC_2010 
526 November 2004  M[FAME4090]Standard
601 October 2001 MS-TOFM[EIGTMS]Standard Addition
701 May 2001 MS-TOFM[EIGTMS]Standard
819 July 2007 MS-TOFVAR5Reference Substance
8 spectrum(a)
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Spectrum Details

analyteSqualene, all-trans-
analyte InChIInChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
analyte mass410.72
chromatogramNA(_43)
citation 
authorsMoritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date25 January 2005
metabolite roleMETB
retention time (sec)452.1
retention index (VAR5 method, n-alkanes C10–C36)2,824.48 (predicted, according to Strehmel, N. et.al)
base peak (m/z)69
maximal intensity999
mass-intensity-peaks cardinality94 intensities
minimal m/z50
maximal m/z410
download JCAMP DXSpectrumJcampDx.ashx?id=3a6e9580-715a-4c1f-a2ed-4e02a825ce9a
download MSPSpectrumMsp.ashx?id=3a6e9580-715a-4c1f-a2ed-4e02a825ce9a

GC-Method

nameM[MOR]
citationGullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatizationMEOX; TMSMETHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detectorMS-TOFm/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningnone 
RIALKANEC12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C

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