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Benzene-1,2,3-triol (3TMS)

 

Replica Mass Spectra of Benzene-1,2,3-triol (3TMS)

replicalib entry datedetectionmethodspecies
628 August 2012  MassBank GC 2010 Tsujimoto 
101 May 2001 MS-TOFM[EIGTMS]Standard Addition
520 April 2011 MS-TOFVAR5 
303 November 2010  Schomburg_GC_2010 
210 December 2010 MS-TOFVAR5 
430 March 2011  Fiehn_GC_2010 
6 spectrum(a)
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Spectrum Details

analyteBenzene-1,2,3-triol (3TMS)
analyte InChIInChI=1S/C15H30O3Si3/c1-19(2,3)16-13-11-10-12-14(17-20(4,5)6)15(13)18-21(7,8)9/h10-12H,1-9H3
analyte mass 
chromatogram10300xx_41
citationNA
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 date05 June 2013
metabolite role 
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,533.81 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity2,600,423
mass-intensity-peaks cardinality335 intensities
minimal m/z60
maximal m/z549
download JCAMP DXSpectrumJcampDx.ashx?id=10c2cc2d-ad79-4f1d-8fc4-2b3abaf11666
download MSPSpectrumMsp.ashx?id=10c2cc2d-ad79-4f1d-8fc4-2b3abaf11666

GC-Method

nameMRI_2013
citation 
no method details available

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