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Campesterol (1TMS)

 

Replica Mass Spectra of Campesterol (1TMS)

replicalib entry datedetectionmethodspecies
108 December 2005 MS-TOFM[MOR] 
201 June 2003 MS-QuadM[2]Markhamia acuminata
401 May 2001 MS-TOFM[EIGTMS]Standard Addition
512 May 2005  M[NIST] 
601 May 2001 MS-TOFM[EIGTMS]Reference Substance
701 May 2003 MS-QuadM[2]Newbouldia laevis (P. Beauv.) Seem. ex Bureau
822 January 2005 MS-QUADM[ROE] 
901 January 2003 MS-QuadM[2]Standard
1125 January 2005 MS-TOFM[MOR] 
9 spectrum(a)
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Spectrum Details

analyteCampesterol (1TMS)
analyte InChIInChI=1S/C31H56OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h12,21-23,25-29H,10-11,13-20H2,1-9H3/t22-,23-,25+,26+,27?,28+,29+,30+,31-/m1/s1
analyte mass472.86
chromatogram3157BF22
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)2,755.02
retention index (VAR5 method, n-alkanes C10–C36)3,298.18 (predicted, according to Strehmel, N. et.al)
base peak (m/z)129
maximal intensity999
mass-intensity-peaks cardinality229 intensities
minimal m/z41
maximal m/z482
download JCAMP DXSpectrumJcampDx.ashx?id=5a62d2cc-f0d1-417f-beb8-4f591fd76d60
download MSPSpectrumMsp.ashx?id=5a62d2cc-f0d1-417f-beb8-4f591fd76d60

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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