Table 2.

Potential elemental compositions for the exact monoisotopic mass of (protonated) celecoxib within a 5, 2, and 1 ppm error window and the following elemental search parameters were used: C (0‐30), H (0‐50), O (0‐10), N (0‐5), F (0‐3), S (0‐3)

Number	5 ppm	Number	2 ppm	Number	1 ppm
1	C17 H15 O2 N3 F3 S	1	C17 H15 O2 N3 F3 S	1	C17 H15 O2 N3 F3 S
2	C10 H17 O10 N2 F3	2	C10 H17 O10 N2 F3	2	C10 H17 O10 N2 F3
3	C22 H16 O2 F2 S	3	C22 H16 O2 F2 S	3	C22 H16 O2 F2 S
4	C19 H13 O5 N3 F	4	C19 H13 O5 N3 F	4	C19 H13 O5 N3 F
5	C16 H18 O7 N2 S	5	C16 H18 O7 N2 S	5	C16 H18 O7 N2 S
6	C24 H14 O5	6	C24 H14 O5
7	C12 H21 O2 N5 F S3	7	C12 H21 O2 N5 F S3
8	C11 H17 O7 N5 F S	8	C11 H17 O7 N5 F S
9	C14 H20 O4 N2 F2 S2	9	C14 H20 O4 N2 F2 S2
10	C10 H24 O10 N S2	10	C10 H24 O10 N S2
11	C17 H22 O2 N2 S3	11	C17 H22 O2 N2 S3
12	C25 H11 N F3	12	C25 H11 N F3
13	C9 H19 O4 N5 F3 S2	13	C9 H19 O4 N5 F3 S2
14	C11 H21 O5 N2 F3 S2	14	C11 H21 O5 N2 F3 S2
15	C8 H18 O8 N5 F2 S	15	C8 H18 O8 N5 F2 S
16	C15 H20 O N5 S3	16	C15 H20 O N5 S3
17	C8 H22 O9 N4 S2
18	C11 H25 O6 N F S3
19	C13 H19 O8 N2 F S
20	C22 H12 O4 N3
21	C25 H15 O F S
22	C20 H17 N3 F S2
23	C20 H14 O N3 F2 S
24	C25 H18 S2
25	C13 H16 O9 N2 F2
26	C19 H17 O3 F3 S
27	C16 H14 O6 N3 F2
28	C8 H15 O9 N5 F3
29	C21 H15 O6 F
30	C9 H22 O3 N5 F2 S3
31	C14 H16 O6 N5 S
32	C17 H19 O3 N2 F S2
33	C25 H10 O N4
34	C14 H23 O3 N2 F S3
35	C11 H20 O6 N5 S2
36	C12 H18 O3 N5 F2 S2
37	C15 H21 N2 F3 S3