Table 2. Summary of Ionization, Detection, Acquisition and Structural Annotation Performance from Chemicals Added to Pooled Samples³⁵.

	positive			negative
spiked	38			38
LC-ESIa	34			14
detected MS1	32			11
acquired MS2	21			7
	MetFrag	SIRIUS	MassBank	MetFrag	SIRIUS	MassBank
correct	17	13	14	6	5	4
TPR	0.81	0.62	0.67	0.86	0.71	0.57
precision	0.89	0.72	1.00	1.00	0.83	1.00
F1 score	0.85	0.67	0.80	0.92	0.77	0.73

^aLC-ESI amenability based on empirical spectral information collated by PubChem.³⁵