Table 1.
The LIT MS2 spectra of the [M - H]− ions of various ceramides included in the study (1Ceramide type abbreviation is according to references (27, 30); Rel. Intensity (%) in parenthesis; *overlapped m/z)
| common ions | FA related ions | LCB related ions | |||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A | c1 | c2 | c3 | c4 | c5 | c6 | a1 | a2 | a3 | a4 | a5 | a6 | a7 | a8 | a9 | a10 | db1 | b2 | b3 | b4 | b5 | b6 | b7 | b8 | |||
| [M - H]− | LCB | FA | 1Cer type | [A-H2O]− | [A-H2CO]− | [A-H2-H2COc1-H2O | [c1-H2CO]− | c5-H2O | [NAE-H]b | a1-H2 | a1-H2O | a2-H2O | [a3-H2O]− | RCO2− | RCONH− | RCO2−-H2O | RCO2−-H2 - CO2 | RCONH− + 56 | [LCB-H]− | b1-H2CO | b1-H2-H2CO | c1-R1CONH2 | A - NAE | c3-R1CONH2 | LCB + 41 | b1 +CO | |
| 788 | d17:1 | ωh34:1 | OS | 770 (6.0) | 758 (40) | 756 (20) | 752 (5) | 740 (100) | 564 (2.6) | 562 (6.0) | 546 (42.2) | 544 (19.4) | 521 (21.3) | 520 (17.0) | 503 (3.4) | 284 (-) | 254 (1.2) | 252 (-) | 249 (2.4) | 223 (-) | |||||||
| 776 | d18:1 | ωh32:0 | OS | 758 (3.1) | 746 (43.8) | 744 (22.0) | 740 (5.3) | 728 (100) | 536 (4.6) | 534 (3.7) | 520 (40.7) | 518 (24.0) | 495 (20.3) | 494 (15.1) | 477 (3.5) | 298 (0.5) | 268 (1.3) | 266 (0.6) | 263 (3.1) | 237 (0.4) | |||||||
| 792 | t20:1 | ωh30:0 | OH | 774 (6.2) | 762 (100) | 760 (1.8) | 756 (2.2) | 744 (22.8) | 510 (1.4) | 508 (1.0) | 492 (8.6) | 490 (2.3) | 467 (4.3) | 466 (2.6) | 449 (0.5) | 342 (0.6) | 312 (0.5) | 307 (1.1) | |||||||||
| 764 | t18:1 | ωh30:0 | OH | 746 (5.6) | 734 (100) | 732 (0.9) | 728 (1.4) | 716 (22.5) | 510 (1.5) | 508 (0.9) | 492 (11.8) | 490 (3.1) | 467 (5.5) | 466 (3.6) | 449 (0.5) | 314 (0.5) | 284 (0.6) | 279 (1.1) | 253 (0.5) | ||||||||
| 708 | t18:1 | αh26:0 | AH | 690 (25.7) | 678 (100) | 676 4.5) | 672 (8.3) | 660 (10.2) | 454 (5.4) | 452 (5.9) | 436 (10.5) | 411 (28.9) | 410 (14.1) | 393 (5.1) | 365 (10.6) | 466 (1.3) | 314 (4) | 284 (5.7) | 279 (2.2) | 253 (0.8) | |||||||
| 680 | t18:1 | αh24:0 | AH | 662 (25.2) | 650 (100) | 648 (8.7) | 644 (10.2) | 632 (9.8) | 426(6.3) | 424 (7.6) | 408 (11.4) | 383 (35.6) | 382 (15.5) | 365 (6.8) | 337 (12.2) | 438 (3.2) | 314 (4.7) | 284 (7.5) | 279 (2.7) | 253 (1.3) | |||||||
| 692 | d18:1 | βh26:0 | BS | 674 (3.2) | 662 (2.2) | 660 (0.9) | 656 (0.3) | 644 (1.2) | 436 (0.3) | 298 (0.6) | 268 (2.4) | 266 (0.9) | 263 (4.9) | 237 (2.1) | 340 (100) | ||||||||||||
| 678 | d17:1 | βh26:0 | BS | 660 (3.5) | 648 (1.7) | 646 (1.4) | 642 (0.3) | 630 (1.3) | 436 (0.2) | 298 (0.7) | 254 (2.6) | 252 (1.0) | 249 (4.6) | 223 (1.8) | 326 (100) | ||||||||||||
| 664 | d18:1 | αh24:0 | AS | 646 (43.3) | 634 (9.0) | 632 (10.5) | 628 (8.6) | 616 (100) | 426 (3.6) | 424 (40.8) | 408 (18.3) | 390 (2.8) | 383 (9.8) | 382 (3.4) | 365 (5.7) | 337 (23.4) | 298 (3.1) | 268 (9.4) | 266 (0.7) | 263 (1.3) | 237 (0.7) | ||||||
| 580 | d18:1 | αh18:0 | AS | 562 (22.9) | 550 (5.1) | 548 (6.6) | 544 (6.7) | 532 (100) | 342 (1.8) | 340 (26.1) | 324 (11.7) | 306 (1.3) | 299 (15.2) | 298 (8.2) | 281 (5.9) | 253 (15.5) | 298 (8.2) | 268 (9.1) | 266 (0.6) | 263 (1.5) | 237 (0.7) | ||||||
| 552 | d18:1 | αh16:0 | AS | 534 (36.0) | 522 (6.0) | 520 (7.8) | 516 (7.4) | 504 (100) | 314 (0.9) | 312 (35.6) | 296 (17.2) | 278 (2.8) | 271 (13.6) | 270 (0.7) | 253 (5.0) | 225 (9.1) | 298 (7.5) | 268 (2.8) | 266 (0.5) | 263(1.5) | 237 (0.5) | ||||||
| 538 | d17:1 | αh16:0 | AS | 520 (33.1) | 508 (5.6) | 506 (8.0) | 502 (6.0) | 490 (100) | 314 (0.9) | 312 (26.1) | 296 (14.9) | 278 (2.0) | 271 (10.6) | 270 (3.0) | 253 (1.1) | 225 (12.0) | 284 (6.1) | 254 (3.1) | 252 (-) | 249 (0.6) | 223 (1.2) | ||||||
| 650 | d18:0 | 24:0 | NdS | 632 (12.6) | 618 (100) | 614 (1.0) | 602 (46.6) | 410 (2.7) | 408 (33.5) | 392 (90.4) | 367 (34.6) | 366 (5.7) | 349 (18.2) | 300 (8.0) | 268 (1.4) | 239 (2.2) | |||||||||||
| 566 | d18:0 | 18:0 | NdS | 548 (16.0) | 534 (100) | 530 (2.6) | 518 (60.1) | 326 (2.1) | 324 (27.0) | 308 (92.7) | 283 (32.0) | 282 (7.7) | 265 (18.8) | 300 (11.4) | 268 (3.7) | 239 (5.5) | |||||||||||
| 648 | d18:1 | 24:0 | NS | 630 (8.0) | 618 (100) | 616 (42.6) | 612 (0.6) | 600 (17.0) | 410 (0.6) | 408 (21.9) | 392 (85.7) | 367 (39.3) | 366 (35.3) | 349 (16.0) | 298 (2.1) | 268 (2.3) | 266 (0.6) | 263 (19.8) | 237 (5.5) | ||||||||
| 646 | d18:1 | 24:1 | NS | 628 (5.6) | 616 (100) | 614 (39.6) | 610 (0.4) | 598 (13.0) | 408 (0.4) | 406 (20.4) | 390 (93.4) | 365 (12.5) | 364 (9.8) | 347 (9.6) | 298 (2.2) | 268 (0.9) | 266 (0.3) | 263 (15.1) | 237 (4.5) | ||||||||
| 564 | d18:1 | 18:0 | NS | 546 (8.5) | 534 (100) | 532 (44.1) | 528 (0.9) | 516 (17.7) | 326 (0.8) | 324 (18.2) | 308 (70.9) | 283 (28.8) | 282 (25.6) | 265 (12.4) | 298 (3.7) | 268 (3.5) | 266 (0.8) | 263 (29.8) | 237 (9.0) | ||||||||
| 562 | d18:1 | 18:1 | NS | 544 (5.7) | 532 (100) | 530 (40.6) | 526 (0.5) | 514 (15.7) | 324 (0.4) | 322 (18.4) | 306 (81.5) | 281 (33.5) | 280 (19.2) | *263 (38.4) | 298 (3.6) | 268 (3.7) | 266 (0.9) | 263 (38.4) | 237 (9.9) | ||||||||
| 536 | d18:1 | 16:0 | NS | 518 (7.4) | 506 (100) | 504 (43.7) | 500 (1.0) | 488 (36.2) | 298 (3.6) | 296 (18.7) | 280 (72.8) | 255 (22.6) | 254 (22.0) | 237 (23.7) | 298 (3.6) | 268 (4.5) | 266 (1.0) | 263 (32.0) | *237 (23.7) | ||||||||
| 536 | d16:1 | 18:0 | NS | 518 (5.3) | 506 (100) | 504 (36.7) | 500 (-) | 488 (13.3) | 326 (-) | 324 (24.5) | 308 (82.6) | 283 (40.0) | 282 (35.5) | 265 (6.4) | 270 (1.5) | 240 (3.3) | 238 (0.7) | 235 (30.1) | 209 (6.3) | ||||||||
| 626 | t18:0 | αh20:0 | AP | 608 (18.0) | 596 (1.7) | 594 (10.4) | 590 (8.1) | 578 (1.1) | 370 (25.5) | 368 (1.7) | 352 (2.4) | 334 (1.8) | 327 (100) | 326 (8.8) | 309 (2.7) | *281 (22.5) | 382 (34.8) | 316 (1.5) | 284 (1.7) | *281 (22.4) | 255 (3.6) | 267 (6.3) | |||||
| 612 | t17:0 | αh20:0 | AP | 594 (19.6) | 582 (1.9) | 580 (10.5) | 576 (10.2) | 564 (1.6) | 370 (29.5) | 368 (3.7) | 352 (2.7) | 334 (1.8) | 327 (100) | 326 (10.0) | 309 (3.2) | 281 (21.5) | 382 (36.8) | 302 (1.6) | 270 (1.6) | 267 (1.2) | 241 (2.9) | 253 (6.4) | |||||
| 598 | t16:0 | αh20:0 | AP | 580 (16.6) | 568 (1.2) | 566 (9.0) | 562 (8.0) | 550 (1.1) | 370 (30.0) | 368 (2.5) | 352 (2.0) | 334 (1.9) | 327 (100) | 326 (11.2) | 309 (2.5) | 281 (18.0) | 382 (34.8) | 288 (1.2) | 256 (1.3) | 253 (1.4) | 227 (2.3) | 239 (4.9) | |||||
| 570 | t18:0 | αh16:0 | AP | 552 (17.6) | 540 (0.9) | 538 (8.9) | 534 (8.6) | 522 (1.1) | 314 (31.2) | 312 (2.0) | 296 (1.5) | 278 (1.2) | 271 (100) | 270 (10.6) | 253 (3.6) | 225 (23.3) | 326 (44.4) | 316 (1.9) | 284 (2.0) | 281 (1.8) | 255 (7.2) | 267 (15.9) | |||||
| 556 | t17:0 | αh16:0 | AP | 538 (23.0) | 526 (1.1) | 524 (10.6) | 520 (8.3) | 508 (1.6) | 314 (32.1) | 312 (4.0) | 296 2.2) | 278 (1.2) | 271 (100) | 270 (11.6) | 253 (2.6) | 225 (26.3) | 326 42.4) | 302 (1.8) | *270 (11.6) | 267 (1.5) | 241 (5.1) | 253 (9.1) | |||||
| 610 | t18:0 | 20:0 | NP | 592 (27.7) | 580 (2.9) | 578 (34.3) | 574 (38.7) | 562 (2.8) | 354 (64.9) | 352 (13.0) | 336 (3.8) | 311 (78.4) | 310 (8.7) | 293 (1.6) | 366 (100) | 316 (1.8) | 284 (1.2) | 281 (2.4) | 255 (3.3) | 267 (48.7) | |||||||
| 554 | t16:0 | 18:0 | NP | 536 (14.1) | 524 (2.0) | 522 (13.0) | 518 (20.3) | 506 (0.8) | 326 (58.1) | 324 (8.0) | 308 (2.0) | 283 (100) | 282 (4.0) | 265 (0.3) | 338 (87.0) | 288 (1.0) | 256 (0.6) | 253 (-) | 227 (2.2) | 239 (43.0) | |||||||
| 554 | t18:0 | 16:0 | NP | 536 (37.1) | 524 (2.5) | 522 (46.5) | 518 (42.8) | 506 (3.5) | 298 (63.6) | 296 (14.9) | 280 (4.3) | 255 (74.3) | 254 (7.2) | 237 (1.1) | 310 (100) | 316 (4.1) | 284 (2.3) | 281 (1.4) | *255 (74.3) | 267 (62.7) | |||||||
| 554 | d18:0 | αh16:0 | AdS | 536 (100) | 524 (1.6) | 522 (40.9) | 518 (7.5) | 506 (22.2) | 488 (16.8) | 314 (3.5) | 312 (8.8) | 296 (32.3) | 271 (34.8) | 270 (2.0) | 253 (15.0) | 225 (29.2) | 300 (80.0) | 268 (20.7) | 265 (3.0) | 239 (13.0) | 328 (5.8) | ||||||
| 540 | d17:0 | αh16:0 | AdS | 522 (100) | 510 (2.8) | 508 (41.9) | 504 (7.6) | 492 (31.2) | 474 (14.1) | 314 (9.0) | 312 (8.4) | 296 (28.4) | 271 (32.3) | 270 (3.8) | 253 (13.2) | 225 (34.5) | 286 (63.9) | 254 (20.1) | 251 (2.5) | 225 (34.5) | 314 (9.0) | ||||||
| 526 | d18:0 | αh14:0 | AdS | 508 (100) | 496 (1.2) | 494 (40.8) | 490 (5.0) | 478 (13.0) | 460 (32.4) | 286 (3.5) | 284 (7.8) | 268 (60.5) | 243 (30.1) | 242 (2.8) | 225 (12.4) | 197 (24.8) | 300 (85.3) | 268 (60.5) | 265 (3.5) | 239 (15.0) | 328 (4.4) | ||||||