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NA114002 (classified unknown)

 

Replica Mass Spectra of NA114002 (classified unknown)

replicalib entry datedetectionmethodspecies
1105 June 2013  MRI_2013 
803 November 2010  Schomburg_GC_2010 
112 June 2003 MS-QuadM[2]Reference Substance
1023 July 2012 MS-TOFVAR5 
201 September 2001 MS-QuadM[2]Standard Addition
906 May 2011 MS-TOFVAR5 
422 February 2005 MS-TOFM[STR] 
519 March 2010 MS-TOFVAR5Arabidopsis Thaliana
8 spectrum(a)
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Spectrum Details

analyteNA114002 (classified unknown)
analyte InChI
analyte mass235
chromatogram4157GX11
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 date01 February 2005
metabolite roleCONT
retention time (sec)570.63
retention index (VAR5 method, n-alkanes C10–C36)1.122,76 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality80 intensities
minimal m/z70
maximal m/z238
download JCAMP DXSpectrumJcampDx.ashx?id=7afee01e-6578-4f88-9b34-67d51750ba70
download MSPSpectrumMsp.ashx?id=7afee01e-6578-4f88-9b34-67d51750ba70

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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