Table 4

Assignment of substrate–metabolite relationships through correlation analysis of the product ion mass spectra of drug-related components versus each of the parent drugs (A–E)

[M + H]⁺ Ion of unknown component m/z	Correlation Value
	A	B	C	D	E
	L-773,558 m/z 551	L-775,215 m/z 553	L-771,644 m/z 535	L-773,417 m/z 589	L-770,970 m/z 492
264	0.121	0.225	0.658	0.192	0.465
282	0.096	0.539	0.232	0.172	0.377
282b	0.220	−0.017	−0.021	−0.034	0.182
290	−0.012	0.293	0.212	0.272	0.026
318	0.015	0.212	0.458	0.666	0.580
324	0.123	0.012	0.531	0.014	0.845
383	0.445	0.062	0.141	0.050	0.137
404	0.071	0.156	0.272	0.429	0.293
506	0.010	0.214	0.278	0.256	0.938
507b	0.082	1.090	1.244	1.112	0.171
508	0.327	0.404	0.390	0.191	0.864
522	0.167	0.173	0.203	0.125	0.816
524	0.315	0.297	0.420	0.296	0.893
533	0.114	1.147	1.300	1.033	0.315
569	0.397	1.230	0.744	0.545	0.349

The highest symmetry-corrected correlation values within a series are shown in bold. Symmetry-corrected correlation values may be greater than 1. Lowercase letters refer to multiple chromatographic peaks affording the same [M + H]⁺ ion.