. 2015 Aug 5;17(6):1438–1445. doi: 10.1208/s12248-015-9805-x

Table II.

Sixty Compounds Identified That Were Consistently Present in 23 Lots of Premarin

Number	Name	Mass m/z	Putative composition	RRt
1a	E1-S^a	349.1115	C₁₈H₂₂O₅S	1.000
1b	DEq3S17a^a	349.1115	C₁₈H₂₂O₅S	1.000
2	EqS^a	347.0959	C₁₈H₂₀O₅S	0.937
3	413@1.28	413.2003	C₂₁H₃₄O₆S	1.280
4	399@2.25	399.2211	C₂₁H₃₆O₅S	2.250
5	351@1.17	351.1272	C₁₈H₂₄O₅S	1.172
6	E2-3S17a^a	351.1272	C₁₈H₂₄O₅S	1.184
7	415@1.22	415.2162	C₂₁H₃₆O₆S	1.218
8	353@1.34	353.1428	C₁₈H₂₆O₅S	1.341
9	397@2.21	397.2054	C₂₁H₃₄O₅S	2.212
10	415@0.63	415.2162	C₂₁H₃₆O₆S	0.629
11	EqnS^a	345.0802	C₁₈H₁₈O₅S	0.859
12	DEHS^a	347.0959	C₁₈H₂₀O₅S	0.921
13	369@1.73	369.1741	C₁₉H₃₀O₅S	1.732
14	DEqn3S17a^a	347.0959	C₁₈H₂₀O₅S	0.903
15	349@0.90	349.1115	C₁₈H₂₂O₅S	0.901
16	353@1.04	353.1428	C₁₈H₂₆O₅S	1.035
17	465@1.71	465.2494	C₂₅H₃₈O₈	1.710
18	511@1.18	511.2913	C₂₇H₄₄O₉	1.182
19	369@1.14	369.1741	C₁₉H₃₀O₅S	1.135
20	DEq3S17b^a	349.1115	C₁₈H₂₂O₅S	0.928
21	385@0.56	385.1690	C₁₉H₃₀O₆S	0.562
22	371@1.48	371.1898	C₁₉H₃₂O₅S	1.476
23	379@1.02	379.1221	C₁₉H₂₄O₆S	1.021
24	413@0.86	413.2003	C₂₁H₃₄O₆S	0.855
25	355@1.13	355.1585	C₁₈H₂₈O₅S	1.132
26	413@1.90	413.2003	C₂₁H₃₄O₆S	1.896
27	397@2.28	397.2054	C₂₁H₃₄O₅S	2.276
28	413@1.05	413.2003	C₂₁H₃₄O₆S	1.045
29	351@0.83	351.1272	C₁₈H₂₄O₅S	0.833
30	365@0.91	365.1064	C₁₈H₂₂O₆S	0.906
31	415@0.79	415.2162	C₂₁H₃₆O₆S	0.789
32	415@1.10	415.2162	C₂₁H₃₆O₆S	1.102
33	353@1.29	353.1428	C₁₈H₂₆O₅S	1.285
34	415@0.72	415.2162	C₂₁H₃₆O₆S	0.723
35	E2-3S17b^a	351.1272	C₁₈H₂₄O₅S	1.015
36	395@2.20	395.1898	C₂₁H₃₂O₅S	2.199
37	399@2.29	399.2211	C₂₁H₃₆O₅S	2.287
38	385@0.59	385.1690	C₁₉H₃₀O₆S	0.593
39	351@0.89	351.1272	C₁₈H₂₄O₅S	0.891
40	353@1.24	353.1428	C₁₈H₂₆O₅S	1.242
41	385@0.55	385.1690	C₁₉H₃₀O₆S	0.546
42	367@1.45	367.1585	C₁₉H₂₈O₅S	1.450
43	DEqn3S17b^a	347.0959	C₁₈H₂₀O₅S	0.790
44	387@0.73	387.1847	C₁₉H₃₂O₆S	0.725
45	387@0.68	387.1847	C₁₉H₃₂O₆S	0.682
46	395@2.11	395.1898	C₂₁H₃₂O₅S	2.113
47	413@1.11	413.2003	C₂₁H₃₄O₆S	1.111
48	413@2.07	413.2003	C₂₁H₃₄O₆S	2.067
49	413@1.14	413.2003	C₂₁H₃₄O₆S	1.138
50	413@1.01	413.2003	C₂₁H₃₄O₆S	1.010
51	351@1.10	351.1272	C₁₈H₂₄O₅S	1.105
52	511@1.86	511.2913	C₂₇H₄₄O₉	1.863
53	377@0.93	377.1064	C₁₉H₂₂O₆S	0.931
54	385@1.11	385.1690	C₁₉H₃₀O₆S	1.107
55	367@1.19	367.1585	C₁₉H₂₈O₅S	1.193
56	413@2.03	413.2003	C₂₁H₃₄O₆S	2.029
57	385@0.62	385.1690	C₁₉H₃₀O₆S	0.622
58	381@1.19	381.1377	C₁₉H₂₆O₆S	1.193
59	413@1.23	413.2003	C₂₁H₃₄O₆S	1.228
60	413@1.06	413.2003	C₂₁H₃₄O₆S	1.064

The definition of the shortened names can be found in Table 3

^aE1-S and EQ3S17a co-elute and are both assigned number 1