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NA201004 (classified unknown)

 

Replica Mass Spectra of NA201004 (classified unknown)

replicalib entry datedetectionmethodspecies
127 October 2003 MS-QuadM[2]Standard
431 March 2011 MS-TOFVAR5 
315 March 2005 MS-TOFM[6]Reference Substance
3 spectrum(a)
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Spectrum Details

analyteNA201004 (classified unknown)
analyte InChI
analyte mass502.94
chromatogram4157GX20
citation 
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date15 March 2005
metabolite roleMST
retention time (sec)1,255.93
retention index (VAR5 method, n-alkanes C10–C36)2.014,83 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality114 intensities
minimal m/z70
maximal m/z502
download JCAMP DXSpectrumJcampDx.ashx?id=5e1a1081-38d6-47a5-81d9-1b73e4151ac0
download MSPSpectrumMsp.ashx?id=5e1a1081-38d6-47a5-81d9-1b73e4151ac0

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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