Table 1.
Pentafluorobenzyl (PFB) derivative's major fragment of different fatty acids (FAs) measured using negative chemical ionization (NCI) technique and methane as a reagent gas
| Monitored Ions m/z |
|||||
|---|---|---|---|---|---|
| FA | Weight Formula | NCI Fragment Structure | m0 | m + 1 | m + 2 |
| Butanoic (C4:0) | 88.11 | C4H7O2 | 87 | 88 | 89 |
| Butanoic-d7 (C4:0) | 95.15 | C4d7O2 | 94 | 95 | |
| Hexanoic (C6:0) | 116.16 | C6H11O2 | 115 | 116 | 117 |
| Hexanoic-d11 (C6:0) | 127.23 | C6d11O2 | 126 | 127 | |
| Octanoic (C8:0) | 144.21 | C8H15O2 | 143 | 144 | 145 |
| Octanoic-d15 (C8:0) | 159.21 | C8d15O2 | 158 | 159 | |
| Decanoic (C10:0) | 172.26 | C10H19O2 | 171 | 172 | 173 |
| Decanoic-d19 (C10:0) | 191.19 | C10H19O2 | 190 | 191 | |
| Dodecanoic (C12:0) | 200.32 | C12H23O2 | 199 | 200 | 201 |
| Dodecanoic-d23 (C12:0) | 223.32 | C12d23O2 | 222 | 223 | |
| Tetradecanoic (C14:0) | 228.37 | C14H27O2 | 227 | 228 | 229 |
| Tetradecanoic-d27 (C14:0) | 255.37 | C14d27O2 | 254 | 255 | |
| Pentadecanoic (C15:0) | 242.40 | C15H29O2 | 241 | 242 | 243 |
| Hexadecanoic (C16:0) | 256.42 | C16H31O2 | 255 | 256 | 257 |
| Hexadecanoic-d31 (C16:0) | 287.42 | C16d31O2 | 286 | 287 | |
| Hexadec-9-enoic (C16:1) | 254.41 | C16H29O2 | 253 | 254 | 255 |
| Octadecanoic (C18:0) | 284.48 | C18H35O2 | 283 | 284 | 285 |
| Octadecanoic-d35 (C18:0) | 319.48 | C18d35O2 | 318 | 319 | |
| Octadecenoic (C18:1) | 282.46 | C18H33O2 | 281 | 282 | 283 |
| Linoleic (C18:2) | 280.45 | C18H31O2 | 279 | 280 | 281 |
| Linolenic (C18:3) | 278.43 | C18H35O2 | 277 | 278 | 279 |
| Eicosanoic (C20:0) | 312.53 | C20H39O2 | 311 | 312 | 313 |
| Eicosenoic (C20:1) | 310.51 | C20H37O2 | 309 | 310 | 311 |
| Eicosadienoic (C20:2) | 308.50 | C20H35O2 | 307 | 308 | 309 |
| Eicosatrienoic (C20:3) | 306.48 | C20H33O2 | 305 | 306 | 307 |
| Eicosatetraenoic (C20:4) | 304.47 | C20H31O2 | 303 | 304 | 305 |
| Eicosapentaenoic (C20:5) | 302.45 | C20H29O2 | 301 | 302 | 303 |
| Docosanoic (C22:0) | 340.58 | C22H43O2 | 339 | 340 | 341 |
| Docosenoic (C22:1) | 338.57 | C22H41O2 | 337 | 338 | 339 |
| Docosadienoic (C22:2) | 336.55 | C22H39O2 | 335 | 336 | 337 |
| Docosatrienoic (C22:3) | 334.54 | C22H37O2 | 333 | 334 | 335 |
| Docosatetraenoic (C22:4) | 332.52 | C22H35O2 | 331 | 332 | 333 |
| Docosapentaenoic (C22:5) | 330.50 | C22H33O2 | 329 | 330 | 331 |
| Docosahexaenoic (C22:6) | 328.49 | C22H31O2 | 327 | 328 | 329 |
| Tetracosanoic (C24:0) | 368.64 | C24H47O2 | 367 | 368 | 369 |
| Tetracosenoic (C24:1) | 366.62 | C24H45O2 | 365 | 366 | 367 |