Table 1 Putative identifications of identified biomarkers and the ion found to be most significant for the separation of salmon from different geographical origin in the chemometric models
From: Data fusion and multivariate analysis for food authenticity analysis
Metabolism | Ion bin category (Da) | Chemical composition | Accurate mass (Da) | Lipid identifier |
|---|---|---|---|---|
Unsaturated fatty acids [FA0103] | 127.1 | C7H12O2 | 127.0759 | FA 7:1 |
239.1 | C15H28O2 | 239.2011 | FA 15:1 | |
277.3 | C18H30O2 | 277.2168 | FA 18:3 | |
301.3 | C20H30O2 | 301.2168 | FA 20:5 | |
327.3 | C22H32O2 | 327.2324 | FA 22:6 | |
337.3 | C22H42O2 | 337.3107 | FA 22:1 | |
Branched fatty acids [FA0102] | 255.3 | C16H32O2 | 255.2324 | FA 16:0 |
279.3 | C18H32O2 | 279.2330 | FA 18:2 | |
281.3 | C18H34O2 | 281.2481 | FA 18:1 | |
309.3 | C20H38O2 | 309.2794 | FA 20:1 | |
Primary amides | 280.3 | C14H23N3O3 | 280.1667 | – |
282.3 | C18H37NO | 282.2797 | – | |
N-acyl amines [FA0802] | 128.1 | C7H15NO | 128.1075 | NA 7:0 |
222.1 | C14H25NO | 222.1863 | NA 14:2 | |
338.3 | C20H37NO3 | 338.2701 | NA 20:2 | |
Diacylglycerophosphoglycerols | 745.5 | C40H75O10P | 745.5020 | PG 34:2 |
Diacylglycerophosphocholines | 790.5 | C45H78NO8P | 790.5387 | PC 37:6 |
Triacylglycerols | 909.5 | C60H94O6 | 909.6972 | TG 57:11 |
