Fragment | Tacrolimus | Met—Fig 2B 13-DMT(1) | Met—Fig 2B 13-DMT(2) | Met—Fig 2C 15-DMT | Met—Fig 2D 31-DMT | Met—Fig 2E 12-HT |
---|---|---|---|---|---|---|
M + Na+ | 826.3 (13.9) | 812.4 (4.0) | 812.6 (10.8) | 812.6 (42.0) | 812.5 (100) | 842.6 (93.6) |
M + Na+-H2O | 808.3 (7.9) | 794.6 (0.1) | 794.4 (0.9) | 794.2 (10.9) | 794.3 (12.7) | 824.4 (8.1) |
M + Na+-C6H9NO | 715.4 (0.9) | 701.5 (0.2) | 701.2 (0.5) | 701.0 (10.4) | 701.4 (9.7) | 730.9 (6.1) |
M + Na+-C6H9NO-H2O | 697.3 (6.4) | 683.7 (2.6) | 683.3 (6.7) | 683.6 (12.3) | 683.4 (9.2) | 713.5 (15.8) |
M + Na+-C6H9NO-2H2O | 679.3 (9.3) | 665.6 (1.4) | 665.5 (6.3) | 665.5 (16.1) | 665.1 (8.0) | 695.5 (4.2) |
M + Na+-C6H9NO-CO2 | 671.3 (3.0) | 657.1 (2.9) | 657.1 (4.9) | 657.5 (13.0) | 657.5 (6.5) | 687.2 (13.8) |
M + Na+-C6H9NO-CO2-H2O | 653.4 (15.1) | 639.4 (4.7) | 639.7 (1.7) | 639.5 (14.9) | 639.3 (18.9) | 669.4 (12.7) |
M + Na+-C6H9NO-CO2-2H2O | 635.4 (19.4) | 621.5 (2.9) | 621.4 (2.5) | 621.3 (41.9) | 621.3 (10.9) | 651.5 (1.0) |
M + Na+-C6H9NO-CO2-H2O-C2H4 | 625.5 (41.8) | 611.5 (10.4) | 611.5 (14.0) | 611.4 (26.9) | 611.3 (25.3) | 641.4 (0.2) |
M + Na+-C13H22O2* | 616.2 (58.2) | 602.2 (12.6) | 602.4 (18.2) | 602.3 (100) | 616.2 (61.4) | 632.3 (83.4) |
M + Na+-C12H19NO5 | 569.3 (5.1) | 555.5 (45.6) | 555.2 (64.7) | 555.4 (5.0) | N.D. | N.D. |
M + Na+-C6H9NO-C13H22O2* | 505.3 (26.2) | 491.2 (4.9) | 491.2 (8.5) | 491.2 (64.2) | 505.5 (15.8) | 521.2 (53.9) |
M + Na+-C6H9NO-C13H22O2*-H2O | 487.1 (75.7) | 473.2 (14.9) | 473.1 (40.9) | 473.3 (88.5) | 487.4 (12.6) | 503.1 (48.9) |
M + Na+-C6H9NO-C13H22O2*-H2O-C2H4 | 459.3 (18.2) | 445.2 (7.2) | 445.2 (22.6) | 445.3 (19.2) | 459.4 (9.8) | 475.1 (100) |
M + Na+-C6H9NO-C13H22O2*-H2O-CO2 | 443.2 (79.9) | 429.3 (6.8) | 429.4 (7.6) | 429.3 (48.7) | 443.3 (15.5) | 459.0 (8.5) |
M + Na+-C6H9NO-C13H22O2*-H2O-C2H4-CO2 | 415.1 (100) | 401.2 (37.8) | 401.2 (20.8) | 401.3 (49.6) | 415.0 (24.5) | 431.0 (3.5) |
M + Na+-C6H9NO-C13H22O2*-H2O-C2H4-CO2-CO | 387.2 (35.1) | 373.3 (9.9) | 373.3 (13.5) | 373.3 (18.6) | 387.3 (16.4) | 403.3 (37.6) |
M + Na+-C12H19NO5-C13H22O2* | 359.3 (5.5) | 345.2 (100) | 345.2 (100) | 344.9 (10.6) | N.D. | N.D. |
N.D., not detected.
↵* For 31-DMT, this fragment is C12H20O2 (-196).