Table 2.
Peak Number | Proposed Compound | Molecular Formula | RT 1 (min) |
m/z (Exp) 2 |
m/z (Theor) 3 | Error (ppm) | References |
---|---|---|---|---|---|---|---|
1 | Oxidized hydroxytyrosol | C8H8O3 | 11.67 | 151.0421 | 151.0401 | 13.2 | [44] |
2 | Hydroxytyrosol | C8H10O3 | 11.83 | 153.0577 | 153.0557 | 12.7 | [38,44,49] |
3 | Dialdehydic form of decarboxy methyl elenolic acid | C9H12O4 | 12.78 | 183.0669 | 183.0663 | −3.2 | [48] |
4 | Elenolic acid isomer 1 | C11H14O6 | 13.88 | 241.0713 | 241.0718 | 1.8 | [48,49] |
5 | Tyrosol | C8H10O2 | 14.03 | 137.0626 | 137.0608 | −18.2 | [38,44,48,49] |
6 | Hydroxy D-oleuropein aglycone | C17H20O7 | 16.14 | 335.1130 | 335.1136 | 2 | [38,48] |
7 | 10-hydroxy oleuropein aglycone | C19H22O9 | 16.81 | 393.1181 | 393.1191 | 2.6 | [48] |
8 | UK 4 1 | C12H16O6 | 17.68 | 255.0870 | 255.0874 | 1.6 | - |
9 | UK 4 2 | C12H16O6 | 18.30 | 255.0877 | 255.0874 | 1.1 | - |
10 | p-cumaric acid | C9H8O3 | 19.20 | 163.0426 | 163.0401 | 15.7 | [49,50] |
11 | Hydroxytyrosol acetate | C10H12O4 | 19.80 | 195.0665 | 195.0663 | 0.9 | [38,48,49] |
12 | Elenolic acid isomer 2 | C11H14O6 | 21.11 | 241.0721 | 241.0718 | 1.2 | [48,49] |
13 | Oleacein/Decarboxymethyl oleuropein aglycone | C17H20O6 | 22.70 | 319.1200 | 319.1187 | −4.1 | [38,48,49] |
14 | Oleuropein aglycone isomer 1 | C19H22O8 | 23.43 | 377.1271 | 377.1242 | −7.8 | [38,44,48,49] |
15 | Oleuropein aglycone isomer 2 | C19H22O8 | 23.95 | 377.1272 | 377.1242 | −7.8 | [38,44,48,49] |
16 | Oleuropein aglycone isomer 3 | C19H22O8 | 24.37 | 377.1269 | 377.1242 | −7.2 | [38,48,49] |
17 | Syringaresinol | C22H26O8 | 25.37 | 417.1558 | 417.1555 | 0.8 | [48] |
18 | Pinoresinol | C20H22O6 | 26.14 | 357.1345 | 357.1344 | 0.3 | [48,49] |
19 | Oleocanthal/Decarboxymethyl ligstroside aglycone | C17H20O5 | 26.54 | 303.1250 | 303.1238 | 3.9 | [38,48,49] |
20 | Ligstroside aglycone isomer 1 | C19H22O7 | 27.06 | 361.1313 | 361.1293 | −5.7 | [38,48,49] |
21 | Ligstroside aglycone isomer 2 | C19H22O7 | 27.40 | 361.1322 | 361.1293 | −8.2 | [38,48,49] |
22 | Oleuropein aglycone isomer 4 | C19H22O8 | 27.95 | 377.1258 | 377.1242 | −4.2 | [38,49] |
23 | Oleuropein aglycone isomer 5 | C19H22O8 | 29.35 | 377.1281 | 377.1242 | −10.3 | [38,49] |
24 | Luteolin | C15H10O6 | 29.79 | 285.0407 | 285.0405 | −0.9 | [44,48,49] |
25 | Oleuropein aglycone isomer 6 | C19H22O7 | 29.92 | 377.1272 | 377.1242 | −8.0 | [38,49] |
26 | Ligstroside aglycone isomer 3 | C19H22O7 | 30.59 | 361.1323 | 361.1293 | −8.4 | [38,48,49] |
27 | Apigenin | C15H10O5 | 31.04 | 269.0451 | 269.0455 | 1.5 | [44,48,49] |
28 | Ligstroside aglycone isomer 4 | C19H22O7 | 31.13 | 361.1312 | 361.1293 | −5.5 | [38] |
29 | Ligstroside aglycone isomer 5 | C19H22O7 | 32.08 | 361.1302 | 361.1293 | −2.6 | [38] |
1 Retention time; 2 Experimental; 3 Theoretical; 4 UK: unknown compound.