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Phyllodihydroquinone (2TMS)

 

Replica Mass Spectra of Phyllodihydroquinone (2TMS)

replicalib entry datedetectionmethodspecies
314 April 2010 MS-TOFVAR5Reference Substance
1 spectrum(a)
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Spectrum Details

analytePhyllodihydroquinone (2TMS)
analyte InChIInChI=1S/C37H64O2Si2/c1-28(2)18-15-19-29(3)20-16-21-30(4)22-17-23-31(5)26-27-33-32(6)36(38-40(7,8)9)34-24-13-14-25-35(34)37(33)39-41(10,11)12/h13-14,24-26,28-30H,15-23,27H2,1-12H3/b31-26+/t29-,30-/m1/s1
analyte mass597.08
chromatogram4206GX217
citation 
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 date07 September 2004
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)3,452.43 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality282 intensities
minimal m/z70
maximal m/z600
download JCAMP DXSpectrumJcampDx.ashx?id=c842a1ef-9233-4f1b-9959-cf971b5668ed
download MSPSpectrumMsp.ashx?id=c842a1ef-9233-4f1b-9959-cf971b5668ed

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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