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Mass Spectra of Some Miscellaneous Lipids - Archive



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. 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.


Fatty aldehydes - dimethylacetals - ketones
Fatty aldehyde M+ Fatty aldehyde M+
 
tetradecanal dimethylacetal 258 15-methyl-hexadecanal dimethylacetal 300
pentadecanal dimethylacetal 272 heptadecanal dimethylacetal 300
13-methyl-pentadecanal dimethylacetal 286 octadecanal dimethylacetal 314
hexadecanal dimethylacetal 286 octadec-9-enal dimethylacetal 312
14-methyl-hexadecanal dimethylacetal 300 octadec-11-enal dimethylacetal 312
 
nonacosan-15-one 422   

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
eicosanyl (20:0) 403 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+
 
hexadecan-1-ol (16:0) 314 triacontan-1-ol (30:0) 510
heptadecan-1-ol (17:0) 328 dotriacontan-1-ol (32:0) 538
octadecan-1-ol (18:0) 342
eicosan-1-ol (20:0) 370 octadec-9-en-1-ol (9-18:1) 340
docosan-1-ol (22:0) 398 octadec-9,12-dien-1-ol (9,12-18:2) 338
tetracosan-1-ol (24:0) 426 eicos-11-en-1-ol (11-20:1) 368
hexacosan-1-ol (26:0) 454 docos-13-en-1-ol (13-22:1) 396
octacosan-1-ol (28:0) 482 tetracos-15-en-1-ol (15-24:1) 424
 
18-methyl-nonadecan-1-ol (iso) 370 22-methyl-tetracosan-1-ol (anteiso) 454
18-methyl-eicosan-1-ol (anteiso) 384 24-methyl-pentacosan-1-ol (iso) 368
20-methyl-heneicosan-1-ol (iso) 398 24-methyl-hexacosan-1-ol (anteiso) 468
22-methyl-tricosan-1-ol (iso) 426
 
hexadecan-2-ol 314 nonacosan-15-ol 496
hentriacontan-16-ol 524

Fatty alcohols - acetates
Fatty alcohol M+ Fatty alcohol M+
 
1-hexadecanyl (16:0) 284 1-hexacosanyl (26:0) 424
1-octadecanyl (18:0) 312 1-octadec-9-enyl 310
1-tetracosanyl (24:0) 396 1-octadec-9,12-dienyl 308
hexadecane-2-ol 284

Alkane-1,2-diols - isopropylidene derivatives
1,2-Diol M+ 1,2-Diol 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 diols and polyols - trimethylsilyl ether derivatives
Diol/polyol M+ Diol/polyol 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
 
hexadecane-1,16-diol 402
1,18-dihydroxyoctadec-9-ene 428 1,18-dihydroxyoctadec-6,9-diene 426
octadecane-1,9,18-triol 518 octadecane-1,9,10,18-tetraol 606

Alkane diols - acetate derivatives
Diol/polyol M+ Diol/polyol M+
 
hexadecane-1,2-diol 342
hexadecane-1,16-diol 342 octadecen-9-ene-1,18-diol 356

Monoacylglycerols - bis-trimethylsilyl ethers (TMS)
1-heptadecanoin 488 2-heptadecanoin 488
2-docosanoin 558

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 and derivatives
Sterol M+ Sterol M+
 
cholesterol 386 lathosterol (5α-cholest-7-en-3β-ol) 386
desmosterol 384
β-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
 
cholesteryl acetate 428 β-sitosteryl acetate 456
stigmasteryl acetate 454 ergosteryl acetate 438

Aliphatic amides and amines
Lipid M+ Lipid M+
 
N-butyldodecamide 255 N-butyloctadec-9-enamide 337
N-butyltetradecamide 283 N-butyloctadec-9,12-dienamide 335
N-butylhexadecamide 311 N-butyloctadec-9,12,15-trienamide 333
N-butyloctadecamide 339
 
N,N-tetradecylbutylamine 269 N,N,N-tetradecylbutylethylamine 297
N,N-octadec-9-enylbutylamine 323 N,N,N-octadec-9-enylbutylethylamine 351

Hydrocarbons
Lipid M+ Lipid M+
 
tetradecane (14:0) 198 octacosane (28:0) 394
octadecane (18:0) 254 nonacosane (29:0) 408
docosane (22:0) 310 tricontane (30:0) 422
pentacosane (25:0) 352 hentriacontane (31:0) 436
hexacosane (26:0) 366
heptacosane (27:0) 380 octadec-9-ene (9-18:1) 352
squalene 410

Other miscellaneous lipids
Lipid M+ Lipid M+
 
gamma-tocopherol - TMS ether 488
myristicin 192 apiol 222
1-allyl-2,3,4,5-tetramethoxybenzene 238
uvaol 442 uvaol - TMS ether 586
β-amyrin - TMS ether 498 β-amyrin - acetate 468
dehydroabietic acid - methyl ester 314 abiet-8-en-18-oic acid methyl ester 318
pinoresinyl acetate 442 pinoresinol - TMS ether 502

Some additives and contaminants
Compound M+ Compound M+
 
2,6-di-tert-butyl-4-methyl-phenol (BHT) 220 BHT - TMS ether 292
di-butyl-phthalate 278 di-octyl-phthalate 390
 
Irgafos 168 646 Irganox 1076 530
 
decamethylcyclopentasiloxane 370 cyclic polymethylsiloxane (n=8) 593
dodecamethylcyclohexasiloxane 444 cyclic polymethylsiloxane (n=9) 666
tetradecamethylcycloheptasiloxane 519

Credits/disclaimer Updated: March 30th, 2017 Author: William W. Christie LipidWeb icon