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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
425 January 2005 MS-TOFM[MOR] 
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
chromatogram6054hf_37
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 roleMETB
retention time (sec)959.08
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)69
maximal intensity222.191
mass-intensity-peaks cardinality822 intensities
minimal m/z46
maximal m/z1.000
download JCAMP DXSpectrumJcampDx.ashx?id=59c189cc-87aa-4547-8914-4bf3df9d5f5b
download MSPSpectrumMsp.ashx?id=59c189cc-87aa-4547-8914-4bf3df9d5f5b

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

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