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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
319 July 2007 MS-TOFMDN35Reference Substance
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
chromatogram3157BF06
citationSchauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
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 June 2003
metabolite roleMETB
retention time (sec)2,467.74
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 cardinality75 intensities
minimal m/z41
maximal m/z410
download JCAMP DXSpectrumJcampDx.ashx?id=cb005299-6a1f-43ca-b74b-4844896e408b
download MSPSpectrumMsp.ashx?id=cb005299-6a1f-43ca-b74b-4844896e408b

GC-Method

nameM[2]
citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detectorMS-Quadm/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, 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: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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