Fatty Acid Alkyl Esters

Archive of Mass Spectra of 

 

The following mass spectra are a mixed bag that do not fit conveniently into the main Archive sections. They 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 may be added as they become available.

Spectra are listed under the headings -

 

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    
decanoic (10:0) 172 9-tetradecenoic (9-14:1) 226
undecanoic (11:0) 186 6-octadecenoic (6-18:1) 282
dodecanoic (12:0) 200 9-octadecenoic (9-18:1) 282
tridecanoic (13:0) 214 9,12-octadecadienoic (9,12-18:2) 280
tetradecanoic (14:0) 228 9,12,15-octadecatrienoic (9,12,15-18:3) 278
pentadecanoic (15:0) 242 3,4-tetradecadienoic acid 224
hexadecanoic (16:0) 256    

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 10,13-nonadecadienoate (19:2(n-6)) 322
decanoate (10:0) 200 11,14-eicosadienoate (20:2(n-6)) 336
dodecanoate (12:0) 228    
tetradecanoate (14:0) 256 6,9,12-hexadecatrienoate (16:3(n-4)) 278
pentadecanoate (15:0) 270 6,9,12-octadecatrienoate (18:3(n-6)) 306
hexadecanoate (16:0) 284 8,11,14-octadecatrienoate (18:3(n-4)) 306
heptadecanoate (17:0) 298 9,12,15-octadecatrienoate (18:3(n-3)) 306
octadecanoate (18:0) 312 11,14,17-octadecatrienoate (18:3(n-1)) 306
nonadecanoate (19:0) 326 5,8,11-eicosatrienoate (20:3(n-9)) 334
eicosanoate (20:0) 340 8,11,14-eicosatrienoate (20:3(n-6)) 334
docosanoate (22:0) 368 10,13,16-eicosatrienoate (20:3(n-4)) 334
4,8,12-trimethyltridecanoate 284 11,14,17-eicosatrienoate (20:3(n-3)) 334
13-methyltetradecanoate (iso) 270    
2,6,10,14-tetramethylpentadecanoate (pristanate) 326 6,9,12,15-hexadecatetraenoate (16:4(n-1)) 276
14-methylhexadecanoate (anteiso) 298 6,9,12,15-octadecatetraenoate (18:4(n-3)) 304
15-methylhexadecanoate (iso) 298 8,11,14,17-octadecatetraenoate (18:4(n-1)) 304
3,7,11,15-tetramethylhexadecanoate (phytanate) 340 5,8,11,14-eicosatetraenoate (20:4(n-6)) 332
    7,10,13,16-eicosatetraenoate (20:4(n-4)) 332
9-tetradecenoate (9-14:1) 254 8,11,14,17-eicosatetraenoate (20:4(n-3)) 332
9-hexadecenoate (9-16:1) 282 10,13,16,19-eicosatetraenoate (20:4(n-1)) 332
7-methyl-hexadec-6-enoate 296 7,10,13,16-docosatetraenoate (22:4(n-6)) 360
9-heptadecenoate 296 10,13,16,19-docosatetraenoate (22:4(n-3)) 360
9-octadecenoate (9-18:1) 310    
11-eicosenoate (11-20:1) 338 5,8,11,14,17-octadecapentaenoate (18:5(n-1)) 302
13-docosenoate (13-22:1) 366 4,7,10,13,16-nonadecapentaenoate (19:5(n-3)) 316
15-tetracosenoate (15-24:1) 394 5,8,11,14,17-eicosapentaenoate (20:5(n-3)) 330
    6,9,12,15,18-heneicosapentaenoate (21:5(n-3)) 344
9,12-hexadecadienoate (16:2(n-4)) 280 4,7,10,13,16-docosapentaenoate (22:5(n-6)) 358
9-cis,11-trans-octadecadienoate 308 7,10,13,16,19-docosapentaenoate (22:5(n-3)) 358
9,12-octadecadienoate (18:2(n-6)) 308    
    4,7,10,13,16,19-docosahexaenoate (22:6(n-3)) 356
 
2,3-tetradecadienoate 252 3,4-tetradecadienoate 252
 
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 11-octadecenoate (11-18:1) 400

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 402 18-hydroxy-octadec-9-enoate 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 dosanoate 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    

 

 

Updated: October 17th, 2013