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.
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 |
5,8,11,14,17-eicosapentaenoic (20:5(n-3)) |
302 |
| hexadecanoic (16:0) |
256 |
3,4-tetradecadienoic acid |
224 |
Ethyl esters of fatty acids
|
| Fatty acid |
M+ |
Fatty acid |
M+ |
|
| octanoate (8:0) |
172 |
9-heptadecenoate (9-17:1) |
296 |
| decanoate (10:0) |
200 |
9-octadecenoate (9-18:1) |
310 |
| dodecanoate (12:0) |
228 |
11-eicosenoate (11-20:1) |
338 |
| tetradecanoate (14:0) |
256 |
13-docosenoate (13-22:1) |
366 |
| pentadecanoate (15:0) |
270 |
15-tetracosenoate (15-24:1) |
394 |
| hexadecanoate (16:0) |
284 |
|
|
| heptadecanoate (17:0) |
298 |
9,12-hexadecadienoate (16:2(n-4)) |
280 |
| octadecanoate (18:0) |
312 |
9,12-octadecadienoate (18:2(n-6)) |
308 |
| nonadecanoate (19:0) |
326 |
9-cis,11-trans-octadecadienoate |
308 |
| eicosanoate (20:0) |
340 |
6,9,12-hexadecatrienoate (16:3(n-4)) |
278 |
| docosanoate (22:0) |
368 |
9,12,15-octadecatrienoate (18:3(n-3)) |
302 |
| 4,8,12-trimethyltridecanoate |
284 |
6,9,12,15-octadecatetraenoate (18:4(n-3)) |
304 |
| 13-methyltetradecanoate (iso) |
270 |
8,11,14,17-octadecatetraenoate (18:4(n-1)) |
304 |
| 2,6,10,14-tetramethylpentadecanoate (pristanate) |
326 |
5,8,11,14-eicosatetraenoate (20:4(n-6)) |
332 |
| 14-methylhexadecanoate (anteiso) |
298 |
8,11,14,17-eicosatetraenoate (20:4(n-3)) |
332 |
| 15-methylhexadecanoate (iso) |
298 |
5,8,11,14,17-eicosapentaenoate (20:5(n-3)) |
330 |
|
|
6,9,12,15,18-heneicosapentaenoate (21:5(n-3)) |
344 |
| 9-tetradecenoate (9-14:1) |
254 |
4,7,10,13,16,19-docosahexaenoate (22:6(n-3)) |
356 |
| 9-hexadecenoate (9-16:1) |
268 |
|
|
| |
|
|
|
| 2,3-tetradecadienoate |
252 |
3,4-tetradecadienoate |
252 |
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 |
| 15-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+ |
|
| hexadecanoate (16:0) |
328 |
tetracosanoate (24:0) |
440 |
| octadecanoate (18:0) |
356 |
hexacosanoate (26:0) |
468 |
| docosanoate (22:0) |
412 |
|
|
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 |
Fatty aldehydes - dimethylacetals
|
| Fatty aldehyde |
M+ |
Fatty aldehyde |
M+ |
|
| hexadecanal - acetal |
286 |
heptadecanal - acetal |
300 |
| octadecanal - acetal |
314 |
octadec-9-enal - acetal |
312 |
Fatty alcohols
|
| Fatty alcohol |
M+ |
Fatty alcohol |
M+ |
|
| tetradecan-1-ol |
214 |
15-methyl-hexadecan-1-ol |
256 |
| pentadecan-1-ol |
228 |
|
|
| hexadecan-1-ol |
242 |
hexadec-9-en-1-ol |
240 |
| heptadecan-1-ol |
256 |
octadec-9-en-1-ol |
268 |
| octadecan-1-ol |
270 |
eicos-11-en-1-ol |
296 |
| eicosan-1-ol |
298 |
docos-13-en-1-ol |
324 |
|
|
tetracos-15-en-1-ol |
352 |
Fatty alcohols - nicotinates |
| Fatty alcohol |
M+ |
Fatty alcohol |
M+ |
|
| dodecanyl (12:0) |
291 |
octadec-9-enyl (9-18:1) |
373 |
| tridecanyl (13:0) |
305 |
octadec-11-enyl (11-18:1) |
373 |
| tetradecanyl (14:0) |
319 |
nonadec-11-enyl (11-19:1) |
387 |
| pentadecanyl (15:0) |
333 |
nonadec-13-enyl (13-19:1) |
387 |
| hexadecanyl (16:0) |
347 |
eicos-13-enyl (13-20:1) |
401 |
| heptadecanyl (17:0) |
361 |
|
|
| octadecanyl (18:0) |
375 |
hexadec-9,12-dienyl (9,12-16:2) |
343 |
|
|
octadec-9,12-dienyl (9,12-18:2) |
371 |
| 14-methyl-hexadecanyl (anteiso) |
361 |
octadec-11,14-dienyl (11,14-18:2) |
371 |
| 15-methyl-hexadecanyl (iso) |
361 |
eicos-11,14-dienyl (11,14-20:2) |
399 |
|
|
|
|
| hexadec-9-enyl (9-16:1) |
345 |
eicos-5,8,11,14,17-pentenyl (20:5 (n-3)) |
393 |
| heptadec-9-enyl (9-17:1) |
359 |
docos-7,10,13,16,19-pentenyl (22:5 (n-3)) |
421 |
|
| tetradecan-2-ol |
319 |
hexadecan-2-ol |
347 |
| pentadecan-2-ol |
333 |
|
|
Fatty alcohols - trimethylsilyl ethers (TMS) |
| Fatty alcohol |
M+ |
Fatty alcohol |
M+ |
|
| eicosanyl (20:0) |
370 |
octacosanyl (28:0) |
482 |
| docosanyl (22:0) |
398 |
triacontanyl (30:0) |
510 |
| tetracosanyl (24:0) |
426 |
dotriacontanyl (32:0) |
538 |
| hexacosanyl (26:0) |
454 |
|
|
| 18-methyl-nonadecanyl (iso) |
370 |
22-methyl-tetracosanyl (anteiso) |
440 |
| 18-methyl-eicosanyl (anteiso) |
384 |
24-methyl-pentacosanyl (iso) |
454 |
| 20-methyl-heneicosanyl (iso) |
398 |
24-methyl-hexacosanyl (anteiso) |
468 |
| 22-methyl-tricosanyl (iso) |
426 |
|
|
|
| heptadecan-2-ol |
328 |
octadecan-2-ol |
342 |
| nonadecan-2-ol |
356 |
|
|
Fatty alcohols - acetates
|
| Fatty alcohol |
M+ |
Fatty alcohol |
M+ |
|
| tetracosanyl (24:0) |
396 |
hexacosanyl (26:0) |
424 |
Alkane-1,2-diols - isopropylidene derivatives
|
| Fatty alcohol |
M+ |
Fatty alcohol |
M+ |
|
| hexadecane-1,2-diol |
298 |
eicosane-1,2-diol |
354 |
| heptadecane-1,2-diol |
312 |
docosane-1,2-diol |
382 |
| octadecane-1,2-diol |
326 |
tetracosane-1,2-diol |
410 |
| nonadecane-1,2-diol |
340 |
|
|
|
| 14-methyl-pentadecane-1,2-diol (iso) |
298 |
18-methyl-eicosane-1,2-diol (anteiso) |
368 |
| 14-methyl-hexadecane-1,2-diol (anteiso) |
312 |
20-methyl-heneicosane-1,2-diol (iso) |
382 |
| 16-methyl-heptadecane-1,2-diol (iso) |
326 |
20-methyl-docosane-1,2-diol (anteiso) |
396 |
| 16-methyl-octadecane-1,2-diol (anteiso) |
340 |
22-methyl-tricosane-1,2-diol (iso) |
410 |
| 18-methyl-nonadecane-1,2-diol (iso) |
354 |
22-methyl-tetracosane-1,2-diol (anteiso) |
424 |
Alkane-1,2-diols - trimethylsilyl ether derivatives |
| Fatty alcohol |
M+ |
Fatty alcohol |
M+ |
|
| hexadecane-1,2-diol |
402 |
eicosane-1,2-diol |
458 |
| heptadecane-1,2-diol |
416 |
docosane-1,2-diol |
486 |
| octadecane-1,2-diol |
430 |
tetracosane-1,2-diol |
514 |
|
| 14-methyl-pentadecane-1,2-diol (iso) |
402 |
18-methyl-eicosane-1,2-diol (anteiso) |
472 |
| 14-methyl-hexadecane-1,2-diol (anteiso) |
416 |
20-methyl-heneicosane-1,2-diol (iso) |
486 |
| 16-methyl-heptadecane-1,2-diol (iso) |
430 |
20-methyl-docosane-1,2-diol (anteiso) |
500 |
| 16-methyl-octadecane-1,2-diol (anteiso) |
444 |
22-methyl-tricosane-1,2-diol (iso) |
514 |
| 18-methyl-nonadecane-1,2-diol (iso) |
458 |
22-methyl-tetracosane-1,2-diol (anteiso) |
528 |
Glycerol ethers - isopropylidene derivatives
|
| Glycerol ether |
M+ |
Glycerol ether |
M+ |
|
| tetradecyl (14:0) |
328 |
15-methyl-hexadecyl (iso) |
370 |
| hexadecyl (16:0) |
356 |
9-hexadecenyl (9-16:1) |
354 |
| heptadecyl (17:0) |
370 |
9-octadecenyl (9-18:1) |
382 |
| octadecyl (18:0) |
384 |
eicosenyl (20:1) |
410 |
Glycerol ethers - bis-trimethylsilyl ethers (TMS)
|
| Glycerol ether |
M+ |
Glycerol ether |
M+ |
|
| tetradecyl (14:0) |
432 |
14(15)-methyl-hexadecyl |
474 |
| pentadecyl (15:0) |
446 |
hexadecenyl (16:1) |
458 |
| hexadecyl (16:0) |
460 |
heptadecenyl (17:1) |
472 |
| heptadecyl (17:0) |
474 |
octadecenyl (18:1) |
486 |
| octadecyl (18:0) |
488 |
eicosenyl (20:1) |
514 |
Sterols |
| Lipid |
M+ |
Lipid |
M+ |
|
| cholesterol |
386 |
lathosterol (5α-cholest-7-en-3β-ol) |
386 |
| desmosterol |
384 |
|
|
| beta-sitosterol |
414 |
stigmasterol |
412 |
| campesterol |
400 |
ergosterol |
396 |
|
| cholestanol |
388 |
coprostanol |
388 |
| campestanol |
402 |
sitostanol (stigmastanol) |
416 |
|
| cholesterol-TMS ether |
458 |
lanosterol-TMS ether |
498 |
| desmosterol-TMS ether |
456 |
dihydrolanosterol-TMS ether |
500 |
| lathosterol-TMS ether |
458 |
|
|
| campesterol-TMS ether |
472 |
ergosta-7,22-dien-3β-ol-TMS ether |
470 |
| β-sitosterol-TMS ether |
486 |
ergosterol-TMS ether |
468 |
| betulin-TMS ether |
586 |
|
|
| ergosta-7-en-3β-ol-TMS ether |
472 |
zymosterol-TMS ether |
456 |
| ergosta-5,7,9(11),22-tetraen-3β-ol-TMS ether |
466 |
stigmasterol-TMS ether |
484 |
|
| cholestanol - TMS ether |
460 |
coprostanol - TMS ether |
460 |
| campestanol-TMS ether |
474 |
sitostanol/stigmastanol-TMS ether |
488 |
Some miscellaneous lipids
|
| Lipid |
M+ |
Lipid |
M+ |
|
| gamma-tocopherol-TMS ether |
488 |
|
|
| uvaol |
442 |
|
|
| squalene |
410 |
|
|
| nonacosane (29:0) |
408 |
hentriacontane (31:0) |
436 |
|
| 5-hydroxy-dodecanoate-delta-lactone |
198 |
5-hydroxy-tetradecanoate-delta-lactone |
226 |
Some additives and contaminants |
| Compound |
M+ |
Compound |
M+ |
|
| 2,6-di-tert-butyl-4-methyl-phenol (BHT) |
220 |
|
|
| di-butyl-phthalate |
278 |
di-octyl-phthalate |
390 |
| Irgafos 168 |
646 |
Irganox 1076 |
530 |
| Polysiloxane (n=7) |
|
Polysiloxane (n=9) |
|
| Polysiloxane (n=8) |
|
|
|
