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. Author manuscript; available in PMC: 2023 Sep 7.
Published in final edited form as: J Am Soc Mass Spectrom. 2022 Aug 25;33(9):1784–1793. doi: 10.1021/jasms.2c00166

Table 5:

Summary of average spectral similarity scores for known compounds in mixtures across different is-CID configurations, disaggregated by the relative intensity of its target peak in the low fragmentation mixture mass spectrum.

Target Intensity (%) Number of occurrences Average FPIE Average RevMF
Low Low Mid Low High Low Mid High Low Low Mid Low High Low Mid High
Base Peak [100] 78 0.890 0.886 0.892 0.888 0.965 0.943 0.943 0.936
High [50,100) 39 0.870 0.868 0.877 0.873 0.970 0.960 0.938 0.943
Mid [10,50) 73 0.807 0.771 0.767 0.756 0.928 0.888 0.825 0.832
Low [5,10) 28 0.758 0.698 0.668 0.658 0.801 0.761 0.648 0.672
Ultra-low [1,5) 31 0.648 0.592 0.599 0.578 0.765 0.730 0.644 0.661