Table 6.

Urinary metabolites that are modified by paracetamol treatment

RT	m/z	P value	Formula	Identification	Treatment effect
Positive ion mode
0.6	424.904	0.038	?	Unknownd	–
0.7	136.049	0.012	C4H9NO2S	Homocysteinea	–
0.9	142.087	0.040	C6H11N3O	l-histidinolb	–
1.9	212.062	0.011	?	Unknownd	–
2.4	111.010	0.038	?	Unknownd	+
2.6	262.043	0.035	C9H12NO6P	Phosphotyrosineb	–
3.0	367.162	0.036	?	Unknownd	–
3.7	95.016	0.055	C2H6O2S	Dimethylsulfonec	+
4.3	224.009	0.016	?	Unknownd	+
4.5	151.060	0.003	C5H10O5	Unknownd	–
4.6	166.043	0.001	C5H11NO3S	Methioninesulfoxideb	+
7.4	262.043	1.4 E-05	C9H12NO6P	4,6-Diamino-5-formamidopyrimidinec	+
8.8	326.121	0.016	C11H19NO10	N-glycoloyl-neuraminatec	–
9.6	346.230	0.031	?	Unknownd	+
10	289.124	0.011	?	Unknownd	+
11.4	464.203	0.023	C24H31O9	16alpha,17beta-estriol17-beta-d-glucuronideb	–
11.5	255.128	0.039	C18H22O	3-Deoxyestroneb	–
20.3	472.375	0.042	?	Unknownd	–
Negative ion mode
6.9	178.047	0.001	C9H9NO3	Hippuratea	–
6.9	410.018	0.020	C13H15O13S	Unknownd	–
11.8	481.248	0.027	C19H38N4O10	Unknownd	–
13.2	465.240	0.004	?	Unknownd	–

RT retention time, m/z mass-to-charge ratio

^aIdentified compounds (identification with chemical reference standards)

^bPutatively annotated compounds (e.g. without chemical reference standards, based upon physicochemical properties and/or spectral similarity with public/commercial spectral libraries)

^cPutatively characterized compound classes (e.g. based upon characteristic physicochemical properties of a chemical class of compounds, or by spectral similarity to known compounds of a chemical class)

^dUnknown compounds—although unidentified or unclassified these metabolites can still be differentiated and quantified based upon spectral data