Identifying small molecules via high resolution mass spectrometry: communicating confidence.

By Emma L. Schymanski, Junho Jeon, Rebekka Gulde, K. Fenner, M. Ruff, H. Singer, Juliane Hollender. Environmental Science and Technology, 2014

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Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis (2015, background): “Generally, the use of XICs gave more hits because this also captured target and/or suspect substances where the peak was not suitable for the peak picking T bl e 4 R es ul ts su m m ar y fo r L C –H R M S pa rt ic ip an ts ,b ro ke n do w n in to ca te go ri es an d id en tif ic at io n co nf id en ”
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Untargeted metabolomics strategies – Challenges and Emerging Directions (2016, background): “Recently, revisions to these levels have been proposed to cover special cases where level determination may be unclear [28, 29].”