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. Author manuscript; available in PMC: 2015 Jul 1.
Published in final edited form as: Steroids. 2014 Dec 25;99(0 0):84–90. doi: 10.1016/j.steroids.2014.12.005

Table 1.

Parameters of dansyl (DS), picolinoyl (P), pyridine-3-sulfonyl (PS), and 1-methylimidazole-2-sulfonyl (IS) adducts of steroids using orbitrap mass spectrometry.

Dansyl (DS)
Picolinoyl (P)
Pyridine-3-sulfonyl (PS)
1-Methylimidazole-2-sulfonyl (IS)
Tag Formula [M+H]+ m/z Tag Formula [M+H]+ m/z Tag Formula [M+H]+ m/z Tag Formula [M+H]+ m/z
Test C19H28O2 289.21621
Prog C21H30O2 315.23186
E3 DS C30H35O5NS 522.23087 P3 C36H33O6N3 604.24421 PS C23H27O5NS 430.16827 IS C22H28O5N2S 433.17917
16epi-E3 DS C30H35O5NS 522.23087 P3 C36H33O6N3 604.24421 PS C23H27O5NS 430.16827 IS C22H28O5N2S 433.17917
17epi-E3 DS C30H35O5NS 522.23087 P3 C36H33O6N3 604.24421 PS C23H27O5NS 430.16827 IS C22H28O5N2S 433.17917
16ketoE2 DS C30H33N5OS 520.21522 P2 C30H28O5N2 497.20710 PS C23H25O5NS 428.15262 IS C22H26O5N2S 431.16352
16α-OHE1 DS C30H33N5OS 520.21522 P2 C30H28O5N2 497.20710 PS C23H25O5NS 428.15262 IS C22H26O5N2S 431.16352
2MeOE2 DS C31H37O5NS 536.24652 P2 C31H32O5N2 513.23840 PS C24H29O5NS 444.18392 IS C23H30O5N2S 447.19482
4MeOE2 DS C31H37O5NS 536.24652 P2 C31H32O5N2 513.23840 PS C24H29O5NS 444.18392 IS C23H30O5N2S 447.19482
E2 DS C30H35O4NS 506.23596 P2 C30H30O4N2 483.22783 PS C23H27O4NS 414.17336 IS C22H28O4N2S 417.18426
E1 DS C30H33O4NS 504.22031 P C24H25O3N1 376.19072 PS C23H25O4NS 412.15771 IS C22H26O4N2S 415.16861
3OMeE1 DS C31H35O5NS 534.23087 P C25H27O4N 406.20129 PS C24H27O5NS 442.16827 IS C23H28O5N2S 445.17917
2MeOE1 DS C31H35O5NS 534.23087 P C25H27O4N 406.20129 PS C24H27O5NS 442.16827 IS C23H28O5N2S 445.17917
4OMeE1 DS C31H35O5NS 534.23087 P C25H27O4N 406.20129 PS C24H27O5N1S1 442.16827 IS C23H28O5N2S 445.17917
2OH-E2 DS2 C42H46O7N2S2 755.28193 P3 C36H33O6N3 604.24421 PS2 C28H30O7N2S2 571.15673 IS2 C26H32O7N4S2 577.17852
4OH-E1 DS2 C42H44O7N2S2 753.26628 P2 C30H28O5N2 497.20710 PS2 C28H28O7N2S2 569.14108 IS2 C26H30O7N4S2 575.16287
2OH-E1 DS2 C42H44O7N2S2 753.26628 P2 C30H28O5N2 497.20710 PS2 C28H28O7N2S2 569.14108 IS2 C26H30O7N4S2 575.16287
Test-d3 C19H25O2-d3 292.23504
Prog-13C2 C19H30O2-13C2 317.23856
E3-d4 DS C30H31O5NS-d4 526.25598 P3 C36H29O6N3-d4 608.26932 PS C23H23O5NS-d4 434.19338 IS C22H24O5N2S-d4 437.20428
16α-OHE1-d3 DS C30H30N5OS-d3 523.23405 P2 C30H25O5N2-d3 500.22593 PS C23H22O5NS-d3 431.17145 IS C22H23O5N2S-d3 434.18235
2-OMe-E2-d5 DS C31H32O5NS-d5 541.27791 P2 C31H27O5N2-d5 518.26978 PS C24H24O5NS-d5 449.21531 IS C23H25O5N2S-d5 452.22621
E2-d5 DS C30H30O4NS-d5 511.26734 P2 C30H25O4N2-d5 488.25922 PS C23H22O4NS-d5 419.20474 IS C22H23O4N2S-d5 422.21564
E1-d4 DS C30H29O4NS-d4 508.24542 P C24H21O3N1-d4 380.21583 PS C23H21O4NS-d4 416.18282 IS C22H22O4N2S-d4 419.19371
2MeOE1-13C6 DS C25H35O5NS-13C6 540.25100 P C19H27O4N-13C6 412.22141 PS C18H27O5NS-13C6 448.18840 IS C17H28O5N2S-13C6 451.19930
2OH-E2-13C6 DS2 C36H46O7N2S2-13C6 761.30205 P3 C30H33O6N3-13C6 610.26434 PS2 C22H30O7N2S2-13C6 577.17685 IS2 C20H32O7N4S2-13C6 583.19865
4-OH-E2-d5 DS2 C42H41O7N2S2-d5 760.31331 P3 C36H28O6N3-d5 609.27560 PS2 C28H25O7N2S2-d5 576.18811 IS2 C26H27O7N4S2-d5 582.20991
4OH-E1-13C6 DS2 C36H44O7N2S2-13C6 759.28640 P2 C24H28O5N2-13C6 503.22722 PS2 C22H28O7N2S2-13C6 575.16120 IS2 C20H30O7N4S2-13C6 581.18300
2OH-E1-13C6 DS2 C36H44O7N2S2-13C6 759.28640 P2 C24H28O5N2-13C6 503.22722 PS2 C22H28O7N2S2-13C6 575.16120 IS2 C20H30O7N4S2-13C6 581.18300