The following mass spectra of methyl 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. Further spectra will be added as they become
available.
Methyl esters of saturated straight-chain fatty acids (including those labelled with stable isotopes)
|
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
|
|
nonadecanoate (19:0) |
312 |
| octanoate (8:0) |
158 |
eicosanoate (20:0) |
326 |
| nonanoate (9:0) |
172 |
heneicosanoate (21:0) |
340 |
| decanoate (10:0) |
186 |
docosanoate (22:0) |
354 |
| undecanoate (11:0) |
200 |
tricosanoate (23:0) |
368 |
| dodecanoate (12:0) |
214 |
tetracosanoate (24:0) |
382 |
| tridecanoate (13:0) |
228 |
pentacosanoate (25:0) |
396 |
| tetradecanoate (14:0) |
242 |
hexacosanoate (26:0) |
410 |
| pentadecanoate (15:0) |
256 |
heptacosanoate (27:0) |
424 |
| hexadecanoate (16:0) |
270 |
octacosanoate (28:0) |
438 |
| heptadecanoate (17:0) |
284 |
nonacosanoate (29:0) |
452 |
| octadecanoate (18:0) |
298 |
triacontanoate (30:0) |
466 |
|
| 2,2-D-hexadecanoate (16:0) |
272 |
1-13C-octadecanoate (18:0) |
299 |
| 3,3-D-hexadecanoate (16:0) |
272 |
2-13C-hexadecanoate (16:0) |
271 |
| 4,4-D-hexadecanoate (16:0) |
272 |
|
|
| D35-octadecanoate (18:0) |
333 |
|
|
Methyl esters of saturated branched-chain fatty acids |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 8-methyl-nonanoate (iso) |
186 |
18-methyl-eicosanoate (anteiso) |
340 |
| 8-methyl-decanoate (anteiso) |
200 |
19-methyl-eicosanoate (iso) |
340 |
| 10-methyl-undecanoate (iso) |
214 |
20-methyl-heneicosanoate (iso) |
354 |
| 10-methyl-dodecanoate (anteiso) |
228 |
15-methyl-docosanoate |
368 |
| 11-methyl-dodecanoate (iso) |
228 |
20-methyl-docosanoate (anteiso) |
368 |
| 12-methyl-tridecanoate (iso) |
242 |
21-methyl-docosanoate (iso) |
368 |
| 3-methyl-tetradecanoate |
256 |
22-methyl-tricosanoate (iso) |
382 |
| 9-methyl-tetradecanoate |
256 |
17-methyl-tetracosanoate |
396 |
| 12-methyl-tetradecanoate (anteiso) |
256 |
18-methyl-tetracosanoate |
396 |
| 13-methyl-tetradecanoate (iso) |
256 |
22-methyl-tetracosanoate (anteiso) |
396 |
| 3-methyl-pentadecanoate |
270 |
23-methyl-tetracosanoate (iso) |
396 |
| 14-methyl-pentadecanoate (iso) |
270 |
24-methyl-pentacosanoate (iso) |
410 |
| 3-methyl-hexadecanoate |
284 |
20-methyl-hexacosanoate |
424 |
| 10-methyl-hexadecanoate |
284 |
21-methyl-hexacosanoate |
424 |
| 14-methyl-hexadecanoate (anteiso) |
284 |
24-methyl-hexacosanoate (anteiso) |
424 |
| 15-methyl-hexadecanoate (iso) |
284 |
26-methyl-heptacosanoate (iso) |
438 |
| 16-methyl-heptadecanoate (iso) |
298 |
26-methyl-octacosanoate (anteiso) |
452 |
| 11-methyl-octadecanoate |
312 |
28-methyl-nonacosanoate (iso) |
466 |
| 16-methyl-octadecanoate (anteiso) |
312 |
28-methyl-triacontanoate (anteiso) |
480 |
| 17-methyl-octadecanoate (iso) |
312 |
30-methyl-hentriacontanoate (iso) |
494 |
| 18-methyl-nonadecanoate (iso) |
326 |
30-methyl-dotriacontanoate (anteiso) |
508 |
| 13-methyl-eicosanoate |
340 |
32-methyl-tritriacontanoate (iso) |
522 |
| 14-methyl-eicosanoate |
340 |
32-methyl-tetratriacontanoate (anteiso) |
536 |
|
| 4,8,12-trimethyl-tridecanoate |
270 |
8,10-dimethyl-hexadecanoate |
298 |
| 2,6,10,14-tetramethyl-pentadecanoate (pristanate) |
312 |
3,7,11,15-tetramethyl-hexadecanoate (phytanate) |
326 |
Methyl esters of monoenoic fatty acids (including dimethyl disulfide adducts) |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 9-tetradecenoate (9-14:1) |
240 |
5-eicosenoate (5-20:1) |
324 |
| 3-trans-hexadecenoate |
268 |
9-eicosenoate (9-20:1) |
324 |
| 9-hexadecenoate (9-16:1) |
268 |
11-eicosenoate (11-20:1) |
324 |
| 11-hexadecenoate (11-16:1) |
268 |
13-eicosenoate (13-20:1) |
324 |
| 8-heptadecenoate (8-17:1) |
282 |
11-docosenoate (11-22:1) |
352 |
| 9-heptadecenoate (9-17:1) |
282 |
13-docosenoate (13-22:1) |
352 |
| 2-trans-octadecenoate (2-18:1) |
296 |
15-tetracosenoate (15-24:1) |
380 |
| 9-octadecenoate (9-18:1) |
296 |
16-pentacosenoate (16-25:1) |
394 |
| 11-octadecenoate (11-18:1) |
296 |
17-hexacosenoate (17-26:1) |
408 |
| 13-octadecenoate (13-18:1) |
296 |
19-hexacosenoate (19-26:1) |
408 |
| 11-nonadecenoate (11-19:1) |
310 |
19-octacosenoate (19-28:1) |
436 |
|
| 15-methyl-hexadec-9-enoate |
282 |
7-methyl-hexadec-6-enoate |
282 |
| 3,7,11,15-tetramethylhexadec-trans-2-enoate (phytenate) |
324 |
|
|
|
| 9-octadecenoate (DMDS adduct) |
390 |
11-octadecenoate (DMDS adduct) |
390 |
Methyl esters of dienoic fatty acids (including MTAD adducts) |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 5,9-hexadecadienoate (5,9-16:2) |
266 |
|
|
| 7,10-hexadecadienoate (16:2(n-6)) |
266 |
8,11-eicosadienoate (20:2(n-9)) |
322 |
| 9,12-hexadecadienoate (9,12-16:2) |
266 |
11,14-eicosadienoate (20:2(n-6)) |
322 |
| 5,9-heptadecadienoate (5,9-17:2) |
280 |
|
|
| 9,12-heptadecadienoate (9,12-17:2) |
280 |
5,9-docosadienoate (5,9-22:2) |
350 |
|
|
5,13-docosadienoate (5,13-22:2) |
350 |
| 4,7-octadecadienoate (4,7-18:2) |
294 |
13,16-docosadienoate (22:2(n-6)) |
350 |
| 6,9-octadecadienoate (6,9-18:2) |
294 |
|
|
| 9,12-octadecadienoate (18:2(n-6)) |
294 |
5,9-tricosadienoate (5,9-23:2) |
364 |
| 11,14-octadecadienoate (11,14-18:2)) |
294 |
5,9-tetracosadienoate (5,9-24:2) |
378 |
| 12,15-octadecadienoate (12,15-18:2)) |
294 |
15,18-tetracosadienoate (24:2(n-6)) |
378 |
| 3,9-octadecadienoate (3,9-18:2) |
294 |
|
|
| 5,9-octadecadienoate (5,9-18:2) |
294 |
|
|
| 5,12-octadecadienoate (5,12-18:2) |
294 |
5,9-pentacosadienoate (5,9-25:2) |
392 |
| 6,10-octadecadienoate (6,10-18:2) |
294 |
|
|
| 6,11-octadecadienoate (6,11-18:2) |
294 |
5,9-hexacosadienoate (5,9-26:2) |
406 |
| 7,12-octadecadienoate (7,12-18:2) |
294 |
5,9-heptacosadienoate (5,9-27:2) |
420 |
| 9,11-octadecadienoate (9,11-18:2) |
294 |
5,9-octacosadienoate (5,9-28:2) |
434 |
| 10,12-octadecadienoate (10,12-18:2) |
294 |
|
|
|
| 23-methyl-tetracos-5,9-dienoate |
392 |
24-methyl-hexacosa-5,9-dienoate |
420 |
| 25-methyl-hexacosa-5,9-dienoate |
420 |
22-methyl-octacos-5,9-dienoate |
448 |
|
| 9,11-octadecadienoate - MTAD adduct |
407 |
12,14-octadecadienoate - MTAD adduct |
407 |
| 10,12-octadecadienoate - MTAD adduct |
407 |
13,15-octadecadienoate - MTAD adduct |
407 |
| 11,13-octadecadienoate - MTAD adduct |
407 |
|
|
Methyl esters of trienoic acids including (MTAD adducts) |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 6,9,12-hexadecatrienoate (6,9,12-16:3) |
264 |
5,8,11-eicosatrienoate (20:3(n-9)) |
320 |
| 7,10,13-hexadecatrienoate (16:3(n-3)) |
264 |
5,11,14-eicosatrienoate (5,11,14-20:3) |
320 |
| 9,12,15-hexadecatrienoate (16:3(n-1)) |
264 |
7,11,14-eicosatrienoate (7,11,14-20:3) |
320 |
| |
|
8,11,14-eicosatrienoate (20:3(n-6)) |
320 |
| 8,11,14-heptadecatrienoate (17:3(n-3)) |
278 |
10,13,16-eicosatrienoate (20:3(n-4)) |
320 |
| |
|
11,14,17-eicosatrienoate (20:3(n-3)) |
320 |
| 3,9,12-octadecatrienoate (3,9,12-18:3) |
292 |
10,13,16-docosatrienoate (22:3(n-6)) |
348 |
| 5,9,12-octadecatrienoate (5,9,12-18:3) |
292 |
5,9,17-tetracosatrienoate (5,9,17-24:3) |
376 |
| 6,8,12-octadecatrienoate (6,8,12-18:3) |
292 |
|
|
| 6,9,12-octadecatrienoate (18:3(n-6)) |
292 |
5,9,19-hexacosatrienoate (5,9,19-26:3) |
404 |
| 8,11,14-octadecatrienoate (18:3(n-4)) |
292 |
5,9,19-octacosatrienoate (5,9,19-28:3) |
432 |
| 9,12,15-octadecatrienoate (18:3(n-3)) |
292 |
|
|
| 11,14,17-octadecatrienoate (18:3(n-1)) |
292 |
5,9,21-octacosatrienoate (5,9,21-28:3) |
432 |
| 6,9,11-octadecatrienoate (6,9,11-18:3) |
292 |
5,9,22-nonacosatrienoate (5,9,22-29:3) |
446 |
| 9c,11t,13t-octadecatrienoate (9,11,13-18:3) |
292 |
5,9,23-triacontatrienoate (5,9,23-30:3) |
480 |
|
| 9,11,13-octadecatrienoate - MTAD adduct 1 |
405 |
9,11,13-octadecatrienoate - MTAD adduct 2 |
405 |
Methyl esters of tetra-, penta- and hexaenoic fatty acids |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 4,7,10,13-hexadecatetraenoate (16:4(n-3)) |
262 |
5,11,14,17-eicosatetraenoate (5,11,14,17-20:4) |
318 |
| 6,9,12,15-hexadecatetraenoate (16:4(n-1)) |
262 |
8,11,14,17-eicosatetraenoate (20:4(n-3)) |
318 |
| 5,8,11,14-octadecatetraenoate (18:4(n-4)) |
290 |
|
|
| 6,9,12,15-octadecatetraenoate (18:4(n-3)) |
290 |
7,10,13,16-docosatetraenoate (22:4(n-6)) |
346 |
| 8,11,14,17-octadecatetraenoate (18:4(n-1)) |
290 |
|
|
| 9c,11t,13t,15c-octadecatetraenoate (9,11,13,15-18:4) |
290 |
9,12,15,18-tetracosatetraenoate (24:4(n-6)) |
374 |
| 5,8,11,14-eicosatetraenoate (20:4(n-6)) |
318 |
|
|
|
| 5,8,11,14,17-octadecapentaenoate (18:5(n-1)) |
288 |
|
|
| 5,8,11,14,17-eicosapentaenoate (20:5(n-3)) |
316 |
4,7,10,13,16-docosapentaenoate (22:5(n-6)) |
344 |
| 6,9,12,15,18-heneicosapentaenoate (21:5(n-3)) |
330 |
7,10,13,16,19-docosapentaenoate (22:5(n-3)) |
344 |
|
| 4,7,10,13,16,19-docosahexaenoate (22:6(n-3)) |
342 |
6,9,12,15,18,21-tetracosahexaenoate (24:6(n-3)) |
370 |
Methyl esters of allenic and acetylenic fatty acids |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 4,5-tetradecadienoate (4,5-14:2) |
238 |
8,9-octadecadienoate (8,9-18:2) |
294 |
| 10,11-tetradecadienoate (10,11-14:2) |
238 |
9,10-octadecadienoate (9,10-18:2) |
294 |
| 11,12-tetradecadienoate (11,12-14:2) |
238 |
10,11-octadecadienoate (10,11-18:2) |
294 |
| 12,13-tetradecadienoate (12,13-14:2) |
238 |
11,12-octadecadienoate (11,12-18:2) |
294 |
| 5,6-octadecadienoate (5,6-18:2) |
294 |
12,13-octadecadienoate (12,13-18:2) |
294 |
| 6,7-octadecadienoate (6,7-18:2) |
294 |
13,14-octadecadienoate (13,14-18:2) |
294 |
| 7,8-octadecadienoate (7,8-18:2) |
294 |
|
|
|
| octadec-9-ynoate - replacement spectrum in preparation |
294 |
9,11-octadecadiynoate |
290 |
|
|
10,12-octadecadiynoate |
290 |
| 5,7-nonadiynoate |
164 |
|
|
| 2,4-tridecadiynoate |
220 |
octadeca-9-yn-trans-11-enoate |
292 |
| 3,5-tetradecadiynoate |
234 |
octadeca-9-en-12-ynoate |
292 |
| 4,6-tetradecadiynoate |
234 |
octadeca-6,9-dien-12-ynoate |
290 |
| 5,7-hexadecadiynoate |
262 |
eicocosa-11-en-14-ynoate |
320 |
| 10,12-heptadecadiynoate |
276 |
eicocosa-11-yn-trans-13-enoate |
320 |
| 6,8-octadecadiynoate |
290 |
eicocosa-8,11-dien-14-ynoate |
318 |
| 7,9-octadecadiynoate |
290 |
docosa-13-yn-trans-15-enoate |
348 |
| 8,10-octadecadiynoate |
290 |
|
|
Methyl esters of natural cyclic fatty acids |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 9,10-methylene-hexadecanoate |
282 |
11,12-methylene-octadecanoate |
310 |
| 9,10-methylene-octadecanoate |
310 |
11,12-methylene-eicosanoate |
338 |
|
| 8,9-methylene-heptadec-8-enoate |
294 |
9,10-methylene-octadec-9-enoate |
308 |
|
| 11-cyclopentylundecanoate |
268 |
13-cyclopentyltridecanoate |
296 |
| 11-cyclopent-2-enyl-undecanoate |
266 |
13-cyclopent-2-enyl-tridec-4-enoate-dmds |
480 |
| 13-cyclopent-2-enyl-tridecanoate |
294 |
13-cyclopent-2-enyl-tridec-6-enoate-dmds |
480 |
| 13-cyclopent-2-enyl-tridec-6-enoate |
292 |
|
|
|
| 11-cyclohexyl-undecanoate |
282 |
|
|
|
| 11-phenyl-undecanoate |
276 |
13-phenyl-tridecanoate |
304 |
| 13-phenyl-tridec-9-enoate |
302 |
15-phenyl-pentadec-9-enoate |
330 |
|
| ferulate |
208 |
ferulate - TMS ether |
280 |
|
|
cafeate - TMS ether |
338 |
Methyl esters of epoxy and oxo fatty acids |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 9,10-epoxyoctadecanoate |
312 |
12,13-epoxyoctadec-9-enoate |
310 |
|
|
9,10-epoxyoctadec-12-enoate |
310 |
| 8-(5-hexyl-2-furyl)-octanoate |
308 |
|
|
|
| 5-oxo-octadecanoate |
312 |
12-oxo-octadecanoate |
312 |
| 7-oxo-octadecanoate |
312 |
9,10-dideutero-12-oxo-octadecanoate |
314 |
| |
|
12-oxo-octadec-9-enoate |
310 |
|
| 5-oxo-octadecanoate - oxime |
341 |
12-oxo-octadecanoate - oxime |
341 |
| 7-oxo-octadecanoate - oxime |
341 |
|
|
Methyl esters of hydroxy fatty acids |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 3-hydroxy-octanoate |
174 |
15-hydroxy-hexadecanoate |
286 |
| 2-hydroxy-decanoate |
202 |
16-hydroxy-hexadecanoate |
286 |
| 3-hydroxy-decanoate |
202 |
2-hydroxy-heptadecanoate |
300 |
| 2-hydroxy-dodecanoate |
230 |
2-hydroxy-octadecanoate |
314 |
| 3-hydroxy-dodecanoate |
230 |
10-hydroxy-octadecanoate |
314 |
| 2-hydroxy-tetradecanoate |
258 |
12-hydroxy-octadecanoate |
314 |
| 3-hydroxy-tetradecanoate |
258 |
17-hydroxy-octadecanoate |
314 |
|
6-hydroxy-tetradecanoate |
258 |
18-hydroxy-octadecanoate |
314 |
| 13-hydroxy-tetradecanoate |
258 |
9-hydroxy-nonadecanoate |
328 |
| 2-hydroxy-pentadecanoate |
272 |
9-hydroxy-octadec-12-enoate |
312 |
| 2-hydroxy-hexadecanoate |
286 |
12-hydroxy-octadec-9-enoate |
312 |
| 3-hydroxy-hexadecanoate |
286 |
|
|
| 8-hydroxy-hexadecanoate |
286 |
14-hydroxy-eicos-11-enoate |
340 |
|
| 9-hydroxy-octadec-10,12-dienoate |
310 |
15-hydroxy-octadec-9,12-dienoate |
310 |
|
| 2-hydroxy-eicosanoate |
342 |
2-hydroxy-tetracos-15-enoate |
396 |
| 2-hydroxy-docosanoate |
370 |
2-hydroxy-tetracos-17-enoate |
396 |
| 2-hydroxy-tricosanoate |
384 |
2-hydroxy-pentacos-16-enoate |
410 |
| 2-hydroxy-tetracosanoate |
398 |
2-hydroxy-pentacos-18-enoate |
410 |
| 2-hydroxy-pentacosanoate |
412 |
2-hydroxy-hexacos-17-enoate |
424 |
| 2-hydroxy-hexacosanoate |
426 |
2-hydroxy-hexacos-19-enoate |
424 |
|
|
2-hydroxy-heptacos-18-enoate |
438 |
|
| 2-hydroxy-16-methyl-heptadecanoate |
314 |
2-hydroxy-octadeca-9,12,15-trienoate |
308 |
|
| 3-hydroxy-decanoate - TMS |
274 |
10-hydroxy-octadecanoate - TMS |
386 |
| 3-hydroxy-dodecanoate - TMS |
302 |
13-hydroxy-octadecanoate - TMS |
386 |
| 3-hydroxy-tetradecanoate - TMS |
330 |
15-hydroxy-octadecanoate - TMS |
386 |
| 11-hydroxy-hexadecanoate - TMS |
358 |
17-hydroxy-octadecanoate - TMS |
386 |
| 13-hydroxy-hexadecanoate - TMS |
358 |
18-hydroxy-octadecanoate - TMS |
386 |
| 14-hydroxy-hexadecanoate - TMS |
358 |
|
|
| 15-hydroxy-hexadecanoate - TMS |
358 |
9-hydroxy-nonadecanoate - TMS |
400 |
| 16-hydroxy-hexadecanoate - TMS |
358 |
11-hydroxy-nonadecanoate - TMS |
400 |
| 9-hydroxy-heptadecanoate - TMS |
372 |
|
|
|
| 9-hydroxy-octadec-12-enoate - TMS |
384 |
9-hydroxy-octadeca-10,12-dienoate - TMS |
382 |
| 12-hydroxy-octadec-9-enoate - TMS |
384 |
15-hydroxy-octadeca-9,12-dienoate - TMS |
382 |
| 14-hydroxyl-eicos-11-enoate - TMS |
412 |
|
|
|
| 2-hydroxy-tetradecanoate - TMS |
330 |
2-hydroxy-pentacosanoate - TMS |
484 |
| 2-hydroxy-hexadecanoate - TMS |
358 |
2-hydroxy-hexacosanoate - TMS |
498 |
| 2-hydroxy-octadecanoate - TMS |
386 |
2-hydroxy-tetracos-15-enoate - TMS |
468 |
| 2-hydroxy-docosanoate - TMS |
442 |
2-hydroxy-pentacos-16-enoate - TMS |
482 |
| 2-hydroxy-tricosanoate - TMS |
456 |
2-hydroxy-pentacos-18-enoate - TMS |
482 |
| 2-hydroxy-tetracosanoate - TMS |
470 |
2-hydroxy-hexacos-19-enoate - TMS |
496 |
Methyl esters of methoxy fatty acids |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 12-methoxy-octadec-9-enoate |
326 |
|
|
Methyl esters of di- and tricarboxylic fatty acids |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 1,5-pentanedioate |
160 |
1,10-decanedioate |
230 |
| 1,6-hexanedioate |
174 |
1,11-undecanedioate |
244 |
| 1,7-heptanedioate |
188 |
1,12-dodecanedioate |
258 |
| 1,8-octanedioate |
202 |
|
|
| 1,9-nonanedioate |
216 |
1,18-octadecanedioate |
342 |
|
| 1,4,12-dodecanetrioate |
302 |
1,4,14-tetradecanetrioate |
330 |
Methyl esters of halogenated fatty acids |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 2-fluoro-octadecanoate |
316 |
18-fluoro-octadec-9-enoate |
314 |
| 18-fluoro-octadecanoate |
316 |
2,2-difluoro-octadecanoate |
334 |
|
| 2-bromo-hexadecanoate |
350 |
|
|
Methyl esters of thia fatty acids |
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| 6-thia-laurate |
232 |
9-thia-stearate |
316 |
|
|
10-thia-stearate |
316 |
| 2-thia-stearate |
316 |
11-thia-stearate |
316 |
| 3-thia-stearate |
316 |
12-thia-stearate |
316 |
| 4-thia-stearate |
316 |
13-thia-stearate |
316 |
| 5-thia-stearate |
316 |
14-thia-stearate |
316 |
| 6-thia-stearate |
316 |
15-thia-stearate |
316 |
| 7-thia-stearate |
316 |
16-thia-stearate |
316 |
| 8-thia-stearate |
316 |
17-thia-stearate |
316 |
|
| 6,7-dithia-stearate |
334 |
10,15-dithia-stearate |
334 |
| 6,8-dithia-stearate |
334 |
11,15-dithia-stearate |
334 |
| 6,9-dithia-stearate |
334 |
12,15-dithia-stearate |
334 |
| 6,10-dithia-stearate |
334 |
13,15-dithia-stearate |
334 |
| 6,11-dithia-stearate |
334 |
14,15-dithia-stearate |
334 |
