Additional file 5 of patRoon: open source software platform for environmental mass spectrometry based non-target screening
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Additional file 5. Demonstration suspect list. Suspect list that was used for the patRoon demonstration. The list was based on the detected compounds reported in [11], and SMILES identifiers for each suspect were collected from PubChem [24].
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figshare创建时间：
2021-01-07
