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Mass Spectra of Fatty Acid Alkyl Esters - Archive


The following mass spectra are of fatty acid esters other than methyl. Such fatty acid derivatives can be useful for some analytical purposes, and the spectra can often be of value in explaining fragmentation patterns. Some, such as the wax esters, occur naturally. The spectra can be accessed directly from the tabulated links below, or by scrolling down. No comments or interpretation are provided here, as the general principles for most are discussed elsewhere in these web pages. Further spectra are added as they become available. The source of each fatty acid listed is that from which I obtained the spectrum in the course of my research efforts, not necessarily the optimum source.


Free (unesterified) fatty acids
Fatty acid M+ Fatty acid M+
 
butyric (4:0) 88 heptadecanoic (17:0) 270
hexanoic (6:0) 116 octadecanoic (18:0) 284
octanoic (8:0) 144 9-tetradecenoic (9-14:1) 226
decanoic (10:0) 172 3-octadecenoic (3-18:1) 282
undecanoic (11:0) 186 6-octadecenoic (6-18:1) 282
dodecanoic (12:0) 200 9-octadecenoic (9-18:1) 282
tridecanoic (13:0) 214 11-octadecenoic (11-18:1) 282
tetradecanoic (14:0) 228 9,12-octadecadienoic (9,12-18:2) 280
pentadecanoic (15:0) 242 9,12,15-octadecatrienoic (9,12,15-18:3) 278
hexadecanoic (16:0) 256 3,4-tetradecadienoic acid 224

Lactones
5-hydroxy-dodecanoate-delta-lactone 198 5-hydroxy-tetradecanoate-delta-lactone 226

Ethyl esters of fatty acids
Fatty acid M+ Fatty acid M+
 
octanoate (8:0) 172 tricosanoate (23:0) 382
decanoate (10:0) 200 tetracosanoate (24:0) 396
dodecanoate (12:0) 228 hexacosanoate (26:0) 424
tetradecanoate (14:0) 256
pentadecanoate (15:0) 270 13-methyltetradecanoate (iso) 270
hexadecanoate (16:0) 284 14-methylhexadecanoate (anteiso) 298
heptadecanoate (17:0) 298 15-methylhexadecanoate (iso) 298
octadecanoate (18:0) 312
nonadecanoate (19:0) 326 4,8,12-trimethyltridecanoate 284
eicosanoate (20:0) 340 2,6,10,14-tetramethylpentadecanoate (pristanate)   326
docosanoate (22:0) 368 3,7,11,15-tetramethylhexadecanoate (phytanate) 340
 
9-tetradecenoate (9-14:1) 254 3-trans-eicosenoate (3t-20:1) 338
7-hexadecenoate (7-16:1) 282 5-eicosenoate (5-20:1) 338
9-hexadecenoate (9-16:1) 282 11-eicosenoate (11-20:1) 338
9-heptadecenoate 296 5-docosenoate (5-22:1) 366
3-trans-octadecenoate (3t-18:1) 310 13-docosenoate (13-22:1) 366
5-octadecenoate (5-18:1) 310 15-tetracosenoate (15-24:1) 394
9-octadecenoate (9-18:1) 310
11-octadecenoate (11-18:1) 310 7-methyl-hexadec-6-enoate 296
 
9,12-hexadecadienoate (16:2(n-4)) 280 9,12-octadecadienoate (18:2(n-6)) 308
3-trans,9-cis-octadecadienoate (3t,9c-18:2) 308 10,13-nonadecadienoate (19:2(n-6)) 322
5,9-octadecadienoate (5,9-18:2) 308 3-trans,11-cis-eicosadienoate (3t,11c-20:2) 336
5,11-octadecadienoate (5,11-18:2) 308 11,14-eicosadienoate (20:2(n-6)) 336
9-cis,11-trans-octadecadienoate 308 5,13-docosadienoate (5,13-22:2) 364
 
6,9,12-hexadecatrienoate (16:3(n-4)) 278 11,14,17-octadecatrienoate (18:3(n-1)) 306
3t,9c,12c-octadecatrienoate (3t,9c,12c-18:3) 306
5,9,12-octadecatrienoate (5,9,12-18:3) 306 3t,11c,14c-eicosatrienoate (3t,11c,14c-20:3) 334
6,9,12-octadecatrienoate (18:3(n-6)) 306 5,8,11-eicosatrienoate (20:3(n-9)) 334
8,11,14-octadecatrienoate (18:3(n-4)) 306 5,11,14-eicosatrienoate (5,11,14-20:3) 334
9t,11t,13t-octadecatrienoate (9t,11t,13t-18:3) 306 10,13,16-eicosatrienoate (20:3(n-4)) 334
9,12,15-octadecatrienoate (18:3(n-3)) 306 11,14,17-eicosatrienoate (20:3(n-3)) 334
 
6,9,12,15-hexadecatetraenoate (16:4(n-1)) 276 7,10,13,16-eicosatetraenoate (20:4(n-4)) 332
3t,9c,12c,15c-octadecatetraenoate (3t,9c,12c,15c-18:4)   304 8,11,14,17-eicosatetraenoate (20:4(n-3)) 332
6,9,12,15-octadecatetraenoate (18:4(n-3)) 304 10,13,16,19-eicosatetraenoate (20:4(n-1)) 332
8,11,14,17-octadecatetraenoate (18:4(n-1)) 304 7,10,13,16-docosatetraenoate (22:4(n-6)) 360
5,8,11,14-eicosatetraenoate (20:4(n-6)) 332 10,13,16,19-docosatetraenoate (22:4(n-3)) 360
 
5,8,11,14,17-octadecapentaenoate (18:5(n-1)) 302 4,7,10,13,16-docosapentaenoate (22:5(n-6)) 358
4,7,10,13,16-nonadecapentaenoate (19:5(n-3)) 316 7,10,13,16,19-docosapentaenoate (22:5(n-3)) 358
5,8,11,14,17-eicosapentaenoate (20:5(n-3)) 330
6,9,12,15,18-heneicosapentaenoate (21:5(n-3)) 334 4,7,10,13,16,19-docosahexaenoate (22:6(n-3)) 356
 
octadec-9-ynoate 308
2,3-tetradecadienoate 252 3,4-tetradecadienoate 252
 
11-cyclopentenylundecanoate 280 13-cyclopentenyltridec-6-enoate 306
13-cyclopentenyltridecanoate 308 15-cyclopent-2-enylpentadec-9-enoate 334
15-cyclopentenylpentadecanoate 336
 
10,13-epoxy-11-methyl-hexadecadienoate 308 12,15-epoxy-13,14-dimethyl-octadecadienoate 350
10,13-epoxy-11,12-dimethyl-hexadecadienoate 322 12,15-epoxy-13-methyl-eicosadienoate 364
10,13-epoxy-11-methyl-octadecadienoate 336 12,15-epoxy-13,14-dimethyl-eicosadienoate 378
10,13-epoxy-11,12-dimethyl-octadecadienoate 350 14,17-epoxy-15,16-dimethyl-eicosadienoate 378
12,15-epoxy-13-methyl-octadecadienoate 336

n-Propyl esters of fatty acids
Fatty acid M+ Fatty acid M+
 
octanoate (8:0) 186 9-octadecenoate (9-18:1) 324
decanoate (10:0) 214 11-octadecenoate (11-18:1) 324
dodecanoate (12:0) 242 11-eicosenoate (11-20:1) 352
tetradecanoate (14:0) 270 13-docosenoate (13-22:1) 380
pentadecanoate (15:0) 284 15-tetracosenoate (15-24:1) 408
hexadecanoate (16:0) 298
heptadecanoate (17:0) 312 9,12-hexadecadienoate (16:2(n-4)) 294
octadecanoate (18:0) 326 9,12-octadecadienoate (18:2(n-6)) 322
eicosanoate (20:0) 354 9-cis,11-trans-octadecadienoate 322
 
4,8,12-trimethyltridecanoate 298 6,9,12-hexadecatrienoate (16:3(n-4)) 292
13-methyltetradecanoate (iso) 286 9,12,15-octadecatrienoate (18:3(n-3)) 320
2,6,10,14-tetramethylpentadecanoate (pristanate) 340 6,9,12,15-octadecatetraenoate (18:4(n-3)) 318
14-methylhexadecanoate (anteiso) 312 5,8,11,14-eicosatetraenoate (20:4(n-6)) 346
15-methylhexadecanoate (iso) 312 8,11,14,17-eicosatetraenoate (20:4(n-3)) 346
5,8,11,14,17-eicosapentaenoate (20:5(n-3)) 344
9-tetradecenoate (9-14:1) 268 7,10,13,16,19-docosapentaenoate (22:5(n-3)) 372
9-hexadecenoate (9-16:1) 296 4,7,10,13,16,19-docosahexaenoate (22:6(n-3)) 370

iso-Propyl esters of fatty acids
Fatty acid M+ Fatty acid M+
 
hexanoate (6:0) 158 nonadecanoate (19:0) 340
octanoate (8:0) 186 eicosanoate (20:0) 354
decanoate (10:0) 214 heneicosanoate (21:0) 368
dodecanoate (12:0) 242 docosanoate (22:0) 382
tetradecanoate (14:0) 270 tricosanoate (23:0) 396
pentadecanoate (15:0) 284 tetracosanoate (24:0) 410
hexadecanoate (16:0) 298 hexacosanoate (26:0) 438
heptadecanoate (17:0) 312 octacosanoate (28:0) 466
octadecanoate (18:0) 326 triacontanoate (30:0) 494
 
8-methyl-decanoate (anteiso) 228 15-methyl-docosanoate 396
10-methyl-undecanoate (iso) 242 20-methyl-docosanoate (anteiso) 396
10-methyl-dodecanoate (anteiso) 256 21-methyl-docosanoate (iso) 396
12-methyl-tridecanoate (iso) 270 22-methyl-tricosanoate (iso) 410
12-methyl-tetradecanoate (anteiso) 284 22-methyl-tetracosanoate (anteiso) 424
13-methyl-tetradecanoate (iso) 284 24-methyl-pentacosanoate (iso) 438
14-methyl-pentadecanoate (iso) 298 24-methyl-hexacosanoate (anteiso) 452
14-methyl-hexadecanoate (anteiso) 312 26-methyl-heptacosanoate (iso) 466
15-methyl-hexadecanoate (iso) 312 26-methyl-octacosanoate (anteiso) 480
16-methyl-heptadecanoate (iso) 326 28-methyl-nonacosanoate (iso) 494
11-methyl-octadecanoate 340 28-methyl-triacontanoate (anteiso) 508
16-methyl-octadecanoate (anteiso) 340 30-methyl-hentriacontanoate (iso) 522
18-methyl-nonadecanoate (iso) 354 30-methyl-dotriacontanoate (anteiso) 536
18-methyl-eicosanoate (anteiso) 368 32-methyl-tetratriacontanoate (anteiso) 564
20-methyl-heneicosanoate (iso) 382
 
4,8,12-trimethyl-tridecanoate 298 3,7,11,15-tetramethyl-hexadecanoate (phytanate)   354
 
9-tetradecenoate (9-14:1) 268 11-eicosenoate (11-20:1) 352
9-hexadecenoate (9-16:1) 296 13-docosenoate (13-22:1) 380
9-heptadecenoate (9-17:1) 310 15-tetracosenoate (15-24:1) 408
9-octadecenoate (9-18:1) 324 17-hexacosenoate (17-26:1) 436
11-octadecenoate (11-18:1) 324
 
9,12-octadecadienoate (18:2(n-6)) 322 5,9-hexacosadienoate (5,9-26:2) 434
9c,11t-octadecadienoate (9,11-18:2) 322 23-methyl-5,9-tetracosadienoate (iso) 420
24-methyl-5,9-pentacosadienoate (iso) 434
5,9-pentacosadienoate (5,9-25:2) 420  
 
6,9,12-hexadecatrienoate (16:3(n-4)) 292 5,9,17-hexacosatrienoate (5,9,17-26:3) 432
9,12,15-octadecatrienoate (18:3(n-3)) 320 5,9,19-hexacosatrienoate (5,9,19-26:3) 432
5,9,17-tetracosatrienoate (5,9,17-24:3) 404 5,9,19-octacosatrienoate (5,9,19-28:3) 460
 
6,9,12,15-octadecatetraenoate (18:3(n-3)) 318
5,8,11,14-eicosatetraenoate (20:4(n-6)) 346 5,8,11,14,17-eicosapentaenoate (20:5(n-3)) 344
8,11,14,17-eicosatetraenoate (20:4(n-3)) 346 7,10,13,16,19-docosapentaenoate (22:5(n-3)) 372
7,10,13,16-docosatetraenoate (22:4(n-6)) 374 4,7,10,13,16,19-docosahexaenoate (22:6(n-3)) 370
 
11,12-methylene-octadecanoate 338

Butyl esters of fatty acids
Fatty acid M+ Fatty acid M+
 
hexanoate (6:0) 172 9-octadecenoate (9-18:1) 338
octanoate (8:0) 200 11-eicosenoate (11-20:1) 366
decanoate (10:0) 228 13-docosenoate (13-22:1) 394
dodecanoate (12:0) 256 15-tetracosenoate (15-24:1) 422
tetradecanoate (14:0) 284
pentadecanoate (15:0) 298 9,12-octadecadienoate (18:2(n-6)) 336
hexadecanoate (16:0) 312 9-cis,11-trans-octadecadienoate 336
heptadecanoate (17:0) 326
octadecanoate (18:0) 340 6,9,12-hexadecatrienoate (16:3(n-4)) 306
eicosanoate (20:0) 368 9,12,15-octadecatrienoate (18:3(n-3)) 334
4,8,12-trimethyltridecanoate 312 6,9,12,15-octadecatetraenoate (18:4(n-3)) 332
13-methyltetradecanoate (iso) 298 5,8,11,14-eicosatetraenoate (20:4(n-6)) 360
2,6,10,14-tetramethylpentadecanoate 354 8,11,14,17-eicosatetraenoate (20:4(n-3)) 360
14-methylhexadecanoate (anteiso) 326 5,8,11,14,17-eicosapentaenoate (20:5(n-3)) 358
15-methylhexadecanoate (iso) 326 7,10,13,16,19-docosapentaenoate (22:5(n-3)) 386
4,7,10,13,16,19-docosahexaenoate (22:6(n-3)) 384
9-tetradecenoate (9-14:1) 282
9-hexadecenoate (9-16:1) 310

Phenacyl esters of fatty acids
Fatty acid M+ Fatty acid M+
 
hexadecanoate (16:0) 374 9,12-octadecadienoate (18:2(n-6)) 398
11-octadecenoate (11-18:1) 40 9,12,15-octadecatrienoate (18:3(n-3)) 396

Trimethylsilyl esters of fatty acids
Fatty acid M+ Fatty acid M+
 
tetradecanoate (14:0) 300 tetracosanoate (24:0) 440
hexadecanoate (16:0) 328 hexacosanoate (26:0) 468
heptadecanoate (17:0) 342
octadecanoate (18:0) 356 octadec-9-enoate 354
docosanoate (22:0) 412 octadec-9,12-dienoate 352
tricosanoate (23:0) 426
 
hexadecane-1,16-dioate 430 octadec-9-ene-1,18-dioate 456
15-hydroxy-pentadecanoate (+ TMSE) 402 18-hydroxy-octadec-9-enoate (+ TMSE) 442
 
coumaric acid - bisOTMS 308 sinapic acid - bisOTMS 368
ferulic acid - bisOTMS 338   

Wax esters
Wax ester M+ Wax ester M+
 
tetradecanyl tetradecanoate 424 docosanyl eicosanoate 620
hexadecanyl tetradecanoate 452 docosanyl docosanoate 648
tetradecanyl hexadecanoate 452
hexadecanyl hexadecanoate 480 octadecanyl hexadecenoate 506
octadecanyl hexadecanoate 508 eicosanyl octadecenoate 562
eicosanyl eicosanoate 592 octadecenyl hexadecanoate 506
 
octadecyl coumarate - OTMS 488 octadecyl ferulate - OTMS 518
eicosanyl coumarate - OTMS 516 eicosanyl ferulate - OTMS 546
docosanyl coumarate - OTMS 544 docosanyl ferulate - OTMS 574
 
octadecyl caffeate - OTMS 576

Credits/disclaimer Updated: August 8th, 2017 Author: William W. Christie LipidWeb icon