Oral Sessions
(Day1, Day2, Day3, Day4)
Poster Presentations
(Day1, Day2, Day3, Day4)
Luncheon Seminars
(Day1, Day2, Day3, Day4)
Oral Sessions
- Day 3, May 17(Thu.) 17:35-17:55 Room B (Seiun 1)
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3B-O3-M-1735 PDF
Non-target environmental analysis by liquid chromatography/high resolution mass spectrometry with mass fragment and neutral loss database
We introduce a provisional mass fragment and neutral loss database for structural analysis of environmental contaminants, which was constructed by empirical analysis of accurate mass spectra of small molecules with variable structures.Up to now, we analyzed 345 of accurate mass spectra of environmental interest and created the provisional database containing 2383 of precursor ions, product ions and neutral losses.In the database, structures or suspected structures of the precursor ions, product ions and neutral losses are written in “unique SMILES” as well as those formula and exact masses.