Table I.

List of elemental formula paths constituting the fragmentation tree of glutathione

ID	Elemental Formula Path	MSn	Elemental Formula	Mass	Relative intensity (%)	Mass error [ppm]	Standard deviation relative intensity
1	C10H18N3O6S1	1	C10H18N3O6S	308.091	100	−0.5	0
2	C10H18N3O6S1||C5H11N2O3S1	2	C5H11N2O3S	179.049	100	1.3	0
3	C10H18N3O6S1||C5H11N2O3S1||C5H8N1O3S1	3	C5H8NO3S	162.022	100	0.2	0
4	C10H18N3O6S1||C5H11N2O3S1||C5H8N1O3S1||C4H6N1O1S1	4	C4H6NOS	116.016	27	−0.3	1.4
5	C10H18N3O6S1||C5H11N2O3S1||C5H8N1O3S1||C5H6N1O2S1	4	C5H6NO2S	144.011	100	0.1	0
6	C10H18N3O6S1||C5H11N2O3S1||C5H8N1O3S1||C5H6N1O2S1||C4H6N1O1S1	5	C4H6NOS	116.016	100	−0.4	0
7	C10H18N3O6S1||C5H8N1O3S1	2	C5H8NO3S	162.022	33	1.3	1.8
8	C10H18N3O6S1||C5H8N1O3S1||C4H6N1O1S1	3	C4H6NOS	116.016	27	−0.4	1.4
9	C10H18N3O6S1||C5H8N1O3S1||C5H6N1O2S1	3	C5H6NO2S	144.011	100	0.1	0
10	C10H18N3O6S1||C5H8N1O3S1||C5H6N1O2S1||C4H6N1O1S1	4	C4H6NOS	116.016	100	−0.5	0
11	C10H18N3O6S1||C8H13N2O4S1	2	C8H13N2O4S	233.059	25	1.7	1.4
12	C10H18N3O6S1||C8H13N2O4S1||C7H11N2O2S1	3	C7H11N2O2S	187.054	100	0.8	0
13	C10H18N3O6S1||C8H13N2O4S1||C7H11N2O2S1||C7H8N1O2S1	4	C7H8NO2S	170.027	100	0.5	0
14	C10H18N3O6S1||C8H13N2O4S1||C7H11N2O2S1||C7H8N1O2S1||C6H6N1S1	5	C6H6NS	124.022	100	−0.4	0
15	C10H18N3O6S1||C8H13N2O4S1||C8H11N2O3S1	3	C8H11N2O3S	215.049	32	0.9	3.5
16	C10H18N3O6S1||C8H13N2O4S1||C8H11N2O3S1||C7H11N2O2S1	4	C7H11N2O2S	187.054	100	0.8	0
17	C10H18N3O6S1||C8H13N2O4S1||C8H11N2O3S1||C7H11N2O2S1||C6H9N2S1	5	C6H9N2S	141.048	100	−0.1	0
18	C10H18N3O6S1||C8H13N2O4S1||C8H11N2O3S1||C7H11N2O2S1||C7H8N1O2S1	5	C7H8NO2S	170.027	82	0.3	8.7
19	C10H18N3O6S1||C5H11N2O3S1||C5H8N1O3S1||C4H6N1O1S1||C3H6N1S1	5	C3H6NS	88.021	100	−1.0	0
20	C10H18N3O6S1||C5H8N1O3S1||C4H6N1O1S1||C3H6N1S1	4	C3H6NS	88.021	100	−1.0	0
21	C10H18N3O6S1||C5H8N1O3S1||C5H6N1O2S1||C4H6N1O1S1||C3H6N1S1	5	C3H6NS	88.021	100	−1.0	0