Picolinyl Esters of Fatty Acids - Archive of Mass Spectra

The following mass spectra of picolinyl ester derivatives of fatty acids can be accessed directly from the tabulated links below. No comments or interpretation are provided here, as the general principles are discussed elsewhere. More spectra will be added from time to time as they become available.

Spectra are listed under the headings - Picolinyl esters (of fatty acids) -


Picolinyl esters of saturated straight-chain fatty acids (including those labelled with stable isotopes)
Fatty acid M+ Fatty acid M+
acetate (2:0) 151 octadecanoate (18:0) 375
butyrate (4:0) 179 nonadecanoate (19:0) 389
hexanoate (6:0) 207 eicosanoate (20:0) 403
octanoate (8:0) 235 heneicosanoate (21:0) 417
decanoate (10:0) 263 docosanoate (22:0) 431
undecanoate (11:0) 277 tricosanoate (23:0) 445
dodecanoate (12:0) 291 tetracosanoate (24:0) 459
tridecanoate (13:0) 305 pentacosanoate (25:0) 473
tetradecanoate (14:0) 319 hexacosanoate (26:0) 487
pentadecanoate (15:0) 333 heptacosanoate (27:0) 501
hexadecanoate (16:0) 347 octacosanoate (28:0) 515
heptadecanoate (17:0) 361 triacontanoate (30:0) 543
2,2D-hexadecanoate 349 16,17D-octadecanoate 377
3,3D-hexadecanoate 349 17,18D-octadecanoate 377
4,4D-hexadecanoate 349 D35-octadecanoate 410
9,10D-octadecanoate 377
2-13C-hexadecanoate 348 1-13C-octadecanoate 376

Picolinyl esters of saturated branched-chain fatty acids
Fatty acid M+ Fatty acid M+
10-methyl-undecanoate (iso) 291 13-methyl-eicosanoate 417
10-methyl-dodecanoate (anteiso) 305 14-methyl-eicosanoate 417
11-methyl-dodecanoate (iso) 305 17-methyl-eicosanoate 417
12-methyl-tridecanoate (iso) 319 18-methyl-eicosanoate (anteiso) 417
3-methyl-tetradecanoate 333 19-methyl-eicosanoate (iso) 417
9-methyl-tetradecanoate 333 18-methyl-heneicosanoate 431
12-methyl-tetradecanoate (anteiso) 333 19-methyl-heneicosanoate (anteiso) 431
13-methyl-tetradecanoate (iso) 333 20-methyl-heneicosanoate (iso) 431
3-methyl-pentadecanoate 347 15-methyl-docosanoate 445
13-methyl-pentadecanoate (anteiso) 347 20-methyl-docosanoate (anteiso) 445
14-methyl-pentadecanoate (iso) 347 21-methyl-docosanoate (iso) 445
3-methyl-hexadecanoate 361 15-methyl-tricosanoate 459
10-methyl-hexadecanoate 361 22-methyl-tricosanoate (iso) 459
13-methyl-hexadecanoate 361 17-methyl-tetracosanoate 473
14-methyl-hexadecanoate (anteiso) 361 18-methyl-tetracosanoate 473
15-methyl-hexadecanoate (iso) 361 22-methyl-tetracosanoate (anteiso) 473
10-methyl-heptadecanoate 375 23-methyl-tetracosanoate (iso) 473
14-methyl-heptadecanoate 375 24-methyl-pentacosanoate (iso) 487
15-methyl-heptadecanoate (anteiso) 375 20-methyl-hexacosanoate 501
16-methyl-heptadecanoate (iso) 375 21-methyl-hexacosanoate 501
10-methyl-octadecanoate 389 24-methyl-hexacosanoate (anteiso) 501
11-methyl-octadecanoate 389 25-methyl-hexacosanoate (iso) 501
15-methyl-octadecanoate 389 26-methyl-heptacosanoate (iso) 515
16-methyl-octadecanoate (anteiso) 389 22-methyl-octacosanoate 529
17-methyl-octadecanoate (iso) 389 26-methyl-octacosanoate (anteiso) 529
10-methyl-nonadecanoate 403 28-methyl-nonacosanoate (iso) 543
16-methyl-nonadecanoate 403 28-methyl-triacontanoate (anteiso) 557
18-methyl-nonadecanoate (iso) 403 30-methyl-dotriacontanoate (anteiso) 585
3,7,11-trimethyl-dodecanoate 333 2,6,10,14-tetramethyl-pentadecanoate 389
4,8,12-trimethyl-tridecanoate 347 8,10-dimethyl-hexadecanoate 375
3,13-dimethyl-tetradecanoate 347 3,7,11,15-tetramethyl-hexadecanoate 403
5,9,13-trimethyl-tetradecanoate 361

Picolinyl esters of monoenoic fatty acids (including branched-chain)
Fatty acid M+ Fatty acid M+
9-dodecenoate (9-12:1) 289 7-nonadecenoate (7-19:1) 387
4-tetradecenoate (4-14:1) 317 8-nonadecenoate (8-19:1) 387
7-tetradecenoate (7-14:1) 317 9-nonadecenoate (9-19:1) 387
9-tetradecenoate (9-14:1) 317 11-nonadecenoate (11-19:1) 387
5-pentadecenoate (5-15:1) 331 12-nonadecenoate (12-19:1) 387
9-pentadecenoate (9-15:1) 331 5-eicosenoate (5-20:1) 401
2-hexadecenoate (2-16:1) 345 7-eicosenoate (7-20:1) 401
3-hexadecenoate (3-16:1) 345 9-eicosenoate (9-20:1) 401
4-hexadecenoate (4-16:1) 345 11-eicosenoate (11-20:1) 401
trans-6-hexadecenoate (6-16:1) 345 13-eicosenoate (13-20:1) 401
7-hexadecenoate (7-16:1) 345 15-eicosenoate (15-20:1) 401
9-hexadecenoate (9-16:1) 345 7-heneicosenoate (7-21:1) 415
10-hexadecenoate (10-16:1) 345 13-heneicosenoate (13-21:1) 415
11-hexadecenoate (11-16:1) 345    
8-heptadecenoate (8-17:1) 359 5-docosenoate (5-22:1) 429
9-heptadecenoate (9-17:1) 359 7-docosenoate (7-22:1) 429
11-heptadecenoate (11-17:1) 359 11-docosenoate (11-22:1) 429
13-docosenoate (13-22:1) 429
2-octadecenoate (2-18:1) 373 15-docosenoate (15-22:1) 429
3-octadecenoate (3-18:1) 373    
4-octadecenoate (4-18:1) 373 9-tetracosenoate (9-24:1) 457
5-octadecenoate (5-18:1) 373 15-tetracosenoate (15-24:1) 457
6-octadecenoate (6-18:1) 373 17-tetracosenoate (17-24:1) 457
7-octadecenoate (7-18:1) 373 9-pentacosenoate (9-25:1) 471
8-octadecenoate (8-18:1) 373 16-pentacosenoate (16-25:1) 471
9-cis-octadecenoate (9c-18:1) 373 18-pentacosenoate (18-25:1) 471
9-trans-octadecenoate (9t-18:1) 373 9-hexacosenoate (9-26:1) 485
10-octadecenoate (10-18:1) 373 17-hexacosenoate (17-26:1) 485
11-octadecenoate (11-18:1) 373 19-hexacosenoate (19-26:1) 485
12-octadecenoate (12-18:1) 373 19-octacosenoate (19-28:1) 513
13-octadecenoate (13-18:1) 373 21-octacosenoate (21-28:1) 513
14-octadecenoate (14-18:1) 373 21-triacontenoate (21-30:1) 541
15-octadecenoate (15-18:1) 373 23-triacontenoate (23-30:1) 541
16-octadecenoate (16-18:1) 373 23-dotriacontenoate (23-32:1) 569
17-octadecenoate (17-18:1) 373 25-dotriacontenoate (25-32:1) 569
13-methyl-tetradec-4-enoate 331 15-methyl-hexadec-9-enoate 359
14-methyl-pentadec-6-enoate 345 16-methyl-heptadec-9-enoate 373
2-methylene-hexadecanoate 359 17-methyl-octadec-8-enoate 387
14-methyl-hexadec-6-enoate 359 18-methyl-eicos-7-enoate 415
15-methyl-hexadec-6-enoate 359

Picolinyl esters of dienoic fatty acids (including branched-chain)
Fatty acid M+ Fatty acid M+
5,9-hexadecadienoate (5,9-16:2) 343 9,12-nonadecadienoate (9,12-19:2) 385
7,10-hexadecadienoate (16:2(n-6)) 343 5,9-eicosadienoate (5,9-20:2) 399
9,12-hexadecadienoate (9,12-16:2) 343 5,11-eicosadienoate (5,11-20:2) 399
5,9-heptadecadienoate (5,9-17:2) 357 5,13-eicosadienoate (5,13-20:2) 399
7,10-heptadecadienoate (7,10-17:2) 357 7,13-eicosadienoate (7,13-20:2) 399
9,12-heptadecadienoate (9,12-17:2) 357 8,11-eicosadienoate (8,11-20:2) 399
9,13-eicosadienoate (9,13-20:2) 399
2,5-octadecadienoate (2,5-18:2) 371 10,13-eicosadienoate (20:2(n-7)) 399
3,6-octadecadienoate (3,6-18:2) 371 11,14-eicosadienoate (20:2(n-6)) 399
4,7-octadecadienoate (4,7-18:2) 371 13,16-eicosadienoate (13,16-20:2) 399
5,8-octadecadienoate (5,8-18:2) 371 5,9-heneicosadienoate (5,9-21:2) 413
6,9-octadecadienoate (6,9-18:2) 371 5,9-docosadienoate (5,9-22:2) 427
7,10-octadecadienoate (7,10-18:2) 371 5,13-docosadienoate (5,13-22:2) 427
8,11-octadecadienoate (8,11-18:2) 371 7,13-docosadienoate (7,13-22:2) 427
9,12-octadecadienoate (18:2 (n-6)) 371 7,15-docosadienoate (7,15-22:2) 427
10,13-octadecadienoate (10,13-18:2) 371 13,16-docosadienoate (22:2(n-6)) 427
11,14-octadecadienoate (11,14-18:2) 371 5,9-tetracosadienoate (5,9-24:2) 455
12,15-octadecadienoate (12,15-18:2) 371 7,17-tetracosadienoate (7,17-24:2) 455
13,16-octadecadienoate (13,16-18:2) 371 15,18-tetracosadienoate (24:2(n-6)) 455
14,17-octadecadienoate (14,17-18:2) 371 5,9-pentacosadienoate (5,9-25:2) 469
2,6-octadecadienoate (2,6-18:2) 371 5,9-hexacosadienoate (5,9-26:2) 483
3,5-octadecadienoate (3,5-18:2) 371 9,19-hexacosadienoate (9,19-26:2) 483
5,9-octadecadienoate (5,9-18:2) 371 17,20-hexacosadienoate (26:2(n-6)) 483
5,11-octadecadienoate (5,11-18:2) 371 5,9-heptacosadienoate (5,9-27:2) 497
5,12-octadecadienoate (5,12-18:2) 371 5,9-octacosadienoate (5,9-28:2) 511
6,10-octadecadienoate (6,10-18:2) 371 17,21-octacosadienoate (17,21-28:2) 511
6,11-octadecadienoate (6,11-18:2) 371
6,12-octadecadienoate (6,12-18:2) 371 19,23-triacontadienoate (19,23-30:2) 539
7,11-octadecadienoate (7,11-18:2) 371
7,12-octadecadienoate (7,12-18:2) 371 21,25-dotriacontadienoate (21,25-32:2) 567
8,12-octadecadienoate (8,12-18:2) 371
9c,11t-octadecadienoate (9c,11t-18:2) 371
10t,12c-octadecadienoate (10t,12c-18:2) 371
23-methyl-tetracosa-5,9-dienoate 469 25-methyl-hexacosa-5,9-dienoate 497
24-methyl-pentacosa-5,9-dienoate 483 22-methyl-octacosa-5,9-dienoate 511

Picolinyl esters of trienoic fatty acids
Fatty acid M+ Fatty acid M+
4,7,10-hexadecatrienoate (16:3(n-6)) 341 8,11,14-eicosatrienoate (20:3(n-6)) 397
6,9,12-hexadecatrienoate (6,9,12-16:3) 341 11,14,17-eicosatrienoate (20:3(n-3)) 397
7,10,13-hexadecatrienoate (16:3(n-3)) 341 7,13,16-docosatrienoate (7,13,16-22:3) 425
6,9,12-heptadecatrienoate (6,9,12-17:3) 355 5,9,17-tetracosatrienoate (5,9,17-24:3) 453
8,11,14-heptadecatrienoate (17:3(n-3) 355
3,9,12-octadecatrienoate (3,9,12-18:3) 369 5,9,17-pentacosatrienoate (5,9,17-25:3) 467
5,9,12-octadecatrienoate (5,9,12-18:3) 369 5,9,19-pentacosatrienoate (5,9,19-25:3) 467
6,9,12-octadecatrienoate (18:3(n-6)) 369 5,9,17-hexacosatrienoate (5,9,17-26:3) 481
9,12,15-octadecatrienoate (18:3(n-3)) 369 5,9,19-hexacosatrienoate (5,9,19-26:3) 481
5,9,19-heptacosatrienoate (5,9,19-27:3) 495
6,10,12-octadecatrienoate (6,10,12-18:3) 369 5,9,19-octacosatrienoate (5,9,19-28:3) 509
9c,11t,13t-octadecatrienoate (9,11,13-18:3) 369 5,9,21-octacosatrienoate (5,9,21-28:3) 509
9t,11t,13t-octadecatrienoate (9,11,13-18:3) 369 5,9,22-nonacosatrienoate (5,9,22-29:3) 523
8,11,14-nonadecatrienoate (8,11,14-19:3) 383 5,9,23-triacontatrienoate (5,9,23-30:3) 537
5,8,11-eicosatrienoate (20:3(n-9)) 397 5,9,25-dotriacontatrienoate (5,9,25-32:3) 565
5,9,13-eicosatrienoate (5,9,13-20:3) 397 5,9,25-tritriacontatrienoate (5,9,25-33:3) 579
5,11,14-eicosatrienoate (5,11,14-20:3) 397 5,9,27-tetratriacontatrienoate (5,9,27-34:3) 593
7,11,14-eicosatrienoate (7,11,14-20:3) 397

Picolinyl esters of tetra-, penta- and hexaenoic fatty acids
Fatty acid M+ Fatty acid M+
4,7,10,13-hexadecatetraenoate (16:4(n-3)) 339 5,11,14,17-eicosatetraenoate (5,11,14,17-20:4) 395
6,9,12,15-hexadecatetraenoate (16:4(n-1)) 339 8,11,14,17-eicosatetraenoate (20:4(n-3)) 395
5,9,12,15-octadecatetraenoate (5,9,12,15-18:4) 367 7,10,13,16-docosatetraenoate (22:4(n-6)) 423
6,9,12,15-octadecatetraenoate (18:4(n-3)) 367 9,13,15,18-docosatetraenoate (24:4(n-6)) 451
8,11,14,17-octadecatetraenoate (18:4(n-1)) 367 5,9,19,23-triacontatetraenoate (5,9,19,23-30:4) 535
5,8,11,14-nonadecatetraenoate (19:4(n-5)) 381 5,9,21,25-dotriacontatetraenoate (5,9,21,25-32:4) 563
5,8,11,14-eicosatetraenoate (20:4(n-6)) 395 5,9,23,27-tetratriacontatetraenoate (5,9,23,27-34:4) 591
2,6,9,12,15-octadecapentaenoate (2,6,9,12,15-18:5) 365 4,7,10,13,16-docosapentaenoate (22:5(n-6)) 421
3,6,9,12,15-octadecapentaenoate (18:5(n-3)) 365 7,10,13,16,19-docosapentaenoate (22:5(n-3)) 421
5,8,11,14,17-eicosapentaenoate (20:5(n-3)) 393 9,12,15,18,21-tetracosapentaenoate (24:5(n-3)) 449
6,9,12,15,18-heneicosapentaenoate (21:5(n-3)) 407
4,7,10,13,16,19-docosahexaenoate (22:6(n-3)) 419 6,9,12,15,18,21-tetracosahexaenoate (24:6(n-3)) 447

Picolinyl esters of allenic and acetylenic fatty acids
Fatty acid M+ Fatty acid M+
4,5-tetradecadienoate (4,5-14:2) 315 8,9-octadecadienoate (8,9-18:2) 371
10,11-tetradecadienoate (10,11-14:2) 315 9,10-octadecadienoate (9,10-18:2) 371
11,12-tetradecadienoate (11,12-14:2) 315 10,11-octadecadienoate (10,11-18:2) 371
12,13-tetradecadienoate (12,13-14:2) 315 11,12-octadecadienoate (11,12-18:2) 371
5,6-octadecadienoate (5,6-18:2) 371 12,13-octadecadienoate (12,13-18:2) 371
6,7-octadecadienoate (6,7-18:2) 371 13,14-octadecadienoate (13,14-18:2) 371
7,8-octadecadienoate (7,8-18:2) 371
octadeca-9-ynoate 371 6,8-octadecadiynoate 367
7,9-octadecadiynoate 367
5,7-nonadiynoate 241 8,10-octadecadiynoate 367
9,11-dodecadiynoate 283 9,11-octadecadiynoate 367
4,6-tetradecadiynoate 311 10,12-octadecadiynoate 367
5,7-hexadecadiynoate 339
10,12-heptadecadiynoate 353 octadeca-9-yn-trans-11-enoate 369
12,16-heptadecadiynoate 353 octadeca-9-en-12-ynoate 369
octadeca-14-yn-17-enoate 369
2,6-octadecadiynoate 367 octadeca-6,9-dien-12-ynoate 367
4,8-octadecadiynoate 367 octadeca-8,10-dien-12-ynoate 367
5,9-octadecadiynoate 367
6,10-octadecadiynoate 367 octadeca-6-yn-9,12,15-trienoate 365
7,11-octadecadiynoate 367
8,12-octadecadiynoate 367 eicosa-11-en-14-ynoate 397
9,13-octadecadiynoate 367 eicosa-11-yn-trans-13-enoate 397
10,14-octadecadiynoate 367 docosa-13-yn-trans-15-enoate 425
11,15-octadecadiynoate 367 tetracosa-15-yn-trans-17-enoate 453
12,16-octadecadiynoate 367 hexacosa-17-yn-trans-19-enoate 481
13,17-octadecadiynoate 367 octacosa-19-yn-trans-21-enoate 509

Picolinyl esters of natural cyclic fatty acids
Fatty acid M+ Fatty acid M+
9,10-methylene-hexadecanoate 359 11,12-methylene-octadecanoate 387
9,10-methylene-octadecanoate 387 11,12-methylene-eicosanoate 415
8,9-methylene-heptadec-9-enoate 371 9,10-methylene-octadec-9-enoate 385
3-cyclopentylpropanoate 233 11-cyclopentylundecanoate 345
3-cyclopent-2-enylpropanoate 231 11-cyclopent-2-enylundecanoate 343
4-cyclopentylbutyrate 247 13-cyclopentyltridecanoate 373
4-cyclopent-2-enylbutyrate 245 13-cyclopent-2-enyltridecanoate 371
5-cyclopentylpentanoate 261 13-cyclopent-2-enyltridec-4-enoate 369
5-cyclopent-2-enylpentanoate 259 13-cyclopent-2-enyltridec-6-enoate 369
6-cyclopentylhexanoate 275 15-cyclopentylpentadecanoate 401
6-cyclopent-2-enylhexanoate 273 15-cyclopent-2-enylpentadecanoate 399
7-cyclopent-2-enylheptanoate 287 15-cyclopent-2-enylpentadec-9-enoate 397
9-cyclopent-2-enylnonanoate 315
11-phenyl-undecanoate 353 13-phenyl-tridecanoate 381
13-phenyl-tridec-9-enoate 379 15-phenyl-pentadec-9-enoate 407

Picolinyl esters of epoxy, keto and hydroxy fatty acids
Fatty acid M+ Fatty acid M+
9,10-epoxyoctadecanoate 389 12,13-epoxyoctadec-9-enoate 387
8-(5-hexyl-2-furyl)-octanoate 385
15-ethoxypentadecanoate 377 17-ethoxyheptadec-9-enoate 403
15-ethoxypentadec-10-enoate 375 19-ethoxynonadec-9-enoate 431
10-methyl,17-ethoxyheptadecanoate 419
9-methoxydecanoate 293 15-methoxyhexadecanoate 377
11-methoxydodecanoate 321 17-methoxyoctadec-9-enoate 403
13-methoxytetradecanoate 349
4-oxo-dodecanoate 305 11-oxo-nonadecanoate 403
9-oxo-tetradecanoate 333 15-oxo-eicosanoate 417
8-oxo-hexadecanoate 361
14-oxo-hexadecanoate 361 9-oxo-tetradec-5-enoate 331
8-oxo-hexadec-11-enoate 359
5-oxo-octadecanoate 389 8-oxo-hexadec-12-enoate 359
7-oxo-octadecanoate 389 8-oxo-hexadec-13-enoate 359
10-oxo-octadecanoate 389 11-oxo-hexadec-7-enoate 359
10-oxo-14,15-deutero-octadecanoate 391 10-oxo-octadec-13-enoate 387
12-oxo-octadecanoate 389 10-oxo-octadec-14-enoate 387
12-oxo-9,10-deutero-octadecanoate 391 10-oxo-octadec-15-enoate 387
13-oxo-octadecanoate 389 12-oxo-octadec-5-enoate 387
13-oxo-9,10-deutero-octadecanoate 391 12-oxo-octadec-9-enoate 387
16-oxo-octadecanoate 389 13-oxo-octadec-9-enoate 387
16-oxo-9,10-deutero-octadecanoate 391 16-oxo-octadec-9-enoate 387
17-oxo-9,10-deutero-octadecanoate 391 17-oxo-octadec-9-enoate 387
5-oxo-octadecanoate - oxime 418 12-oxo-octadecanoate - oxime 418
7-oxo-octadecanoate - oxime 418
2-hydroxyhexadecanoate 363
2-hydroxyoctadecanoate 391 12-hydroxyoctadecanoate 391
12-hydroxyoctadec-9-enoate 389 12-hydroxyoctadec-9-enoate - TMS ether 461
15-hydroxyoctadec-9,12-dienoate 387

Picolinyl esters of dicarboxylic fatty acids
Fatty acid M+ Fatty acid M+
1,6-hexanedioate 328 1,11-undecanedioate 398
1,9-nonanedioate 370

Picolinyl esters of halogenated fatty acids
Fatty acid M+ Fatty acid M+
16-fluoro-hexadecanoate 365 18-fluoro-octadec-9,12-dienoate 389
16-fluoro-hexadec-7-enoate 363 20-fluoro-eicosanoate 421
16-fluoro-hexadec-9-enoate 363 20-fluoro-eicos-9-enoate 419
18-fluoro-octadecanoate 393 20-fluoro-eicos-11-enoate 419
18-fluoro-octadec-9-enoate 391
12,12,12-trifluoro-dodecanoate 345 6,6-difluoro-octadecanoate 411
2-fluoro-hexadecanoate 365 10,10-difluoro-octadecanoate 411
2-fluoro-octadecanoate 393 18,18,18-trifluoro-octadecanoate 429
2,2-difluoro-octadecanoate 411
14-chloro-tetradecanoate 353 16-chloro-hexadec-9-enoate 379
15-chloro-pentadecanoate 367 18-chloro-octadec-9-enoate 407
16-chloro-hexadecanoate 381
2-bromo-hexadecanoate 427

Picolinyl esters of thia fatty acids
Fatty acid M+ Fatty acid M+
2-thia-laurate 309 7-thia-laurate 309
3-thia-laurate 309 8-thia-laurate 309
4-thia-laurate 309 9-thia-laurate 309
5-thia-laurate 309 10-thia-laurate 309
6-thia-laurate 309 11-thia-laurate 309
2-thia-stearate 393 10-thia-stearate 393
3-thia-stearate 393 11-thia-stearate 393
4-thia-stearate 393 12-thia-stearate 393
5-thia-stearate 393 13-thia-stearate 393
6-thia-stearate 393 14-thia-stearate 393
7-thia-stearate 393 15-thia-stearate 393
8-thia-stearate 393 16-thia-stearate 393
9-thia-stearate 393 17-thia-stearate 393
6,7-dithia-stearate 411 10,15-dithia-stearate 411
6,8-dithia-stearate 411 11,15-dithia-stearate 411
6,9-dithia-stearate 411 12,15-dithia-stearate 411
6,10-dithia-stearate 411 13,15-dithia-stearate 411
6,11-dithia-stearate 411 14,15-dithia-stearate 411


W.W. Christie

Scottish Crop Research Institute (and MRS Lipid Analysis Unit), Invergowrie, Dundee (DD2 5DA), Scotland

Lipid Library