Table 3.
UHPLC-HRMS profiling of S. oblicuus dichloromethane extracts.
| № | Tentatively Annotated Compound | Molecular Formula | Exact Mass [M + H]+ |
Fragmentation Pattern (Relative Abundance) |
t R (min) |
|---|---|---|---|---|---|
| 1 | carotene | C40H56 | 537.4455 | 537.4359 (100), 406.3410 (9.3), 322.2479 (3.4), 198.1847 (9.9), 114.0914 (38.6), 95.0858 (1.6), 69.0705 (10.3) | 11.26 |
| 2 | canthaxanthin | C40H52O2 | 565.4040 | 565.4030 | 22.60 |
| 3 | hydroxyechineone | C40H54O2 | 567.4197 | 567.4184 (100), 549.4068 (11.9), 169.1007 (20.9), 147.1163 (8.8), 145.1008 (45.0), 119.0857 (60.5), 105.0701 (83.24), 93.0704 (47.5), 69.0705 (8.3) | 22.90 |
| 4 | lutein/zeaxanthin | C40H56O2 | 569.4353 | 569.4304 | 22.70 |
| 5 | neoxanthin/violaxanthin | C40H56O4 | 601.4251 | 601.4150 | 22.62 |
| Tentatively Annotated Compound | Molecular Formula |
Exact Mass
[M − H]− |
Fragmentation Pattern
(Relative Abundance) |
t R (min) | |
| 6 | hydroxyhexadecatetraenoic acid | C16H24O3 | 263.1658 | 263.1656 (81.22), 245.1541 (23.47), 242.9861 (27.09), 219.1750 (13.63), 205.1228 (36.81), 201.1643 (100), 173.1328 (5.00), 161.1325 (67.24), 159.165 (3.61), 147.1169 (25.76), 133.1002 (3.25), 107.0853 (23.33), 97.0643 (4.17), 71.0486 (39.93), 59.0123 (2.58), 57.0329 (12.89) | 13.15 |
| 7 | hydroxyhexadecatrienoic acid | C16H26O3 | 265.1811 | 265.1811 (100), 247.1703 (70.26), 229.1596 (0.80), 207.1385 (94.60), 181.1222 (0.97), 163.1480 (5.12), 149.1324 (3.25), 83.0485 (1.10), 71.0487 (9.99), 59.0123 (12.30), 57.0330 (1.31) | 13.78 |
| 8 | hydroxyhexadecadienoic acid | C16H28O3 | 267.1968 | 267.1968 (100), 249.1862 (34.79), 216.9886 (1.37), 205.1955 (1.13), 167.1068 (54.06), 149.0961 (3.35), 59.0123 (7.73) | 15.04 |
| 9 | octadecatetraenoic acid (stearidonic acid) | C18H28O2 | 275.2015 | 275.2015 (100), 231.2119 (4.30), 177.1634 (2.06), 59.0123 (4.58) | 15.94 |
| 10 | dihydroxyhexadecapentaenoic acid | C16H22O4 | 277.1451 | 277.1447 (79.51), 259.1348 (5.20), 249.2476 (1.29), 233.1526 (3.73), 221.1182 (41.22), 177.1275 (63.60), 161.0961 (14.63), 149.0961 (16.73), 135.0802 (100), 121.0646 (20.28), 97.0644 (64.25), 95.0487 (13.82), 71.0487 (31.35), 59.0123 (21.09), 57.0330 (9.94) | |
| 11 | dihydroxyhexadecatetraenoic acid | C16H24O4 | 279.1609 | 279.1595 (19.30), 261.1496 (13.77), 207.1021 (85.26), 181.0863 (29.95), 163.1113 (2.64), 157.0860 (65.28), 139.0750 (6.96), 121.0645 (51.56), 97.0644 (100), 95.0488 (10.09), 83.0487 (10.53), 65.0381 (35.25), 59.0123 (7.19) | 10.24 |
| 12 | hydroxyoctadecatrienoic acid (hydroxylinolenic acid) |
C18H30O3 | 293.2127 | 293.2126 (80.24), 275.2017 (100), 231.2111 (5.27), 183.1019 (0.87), 171.1018 (3.33), 121.1008 (1.76), 71.0486 (2.13) | 15.92 |
| 13 | hydroxyoctadecatrienoic acid isomer | C18H30O3 | 293.2125 | 293.2125 (100), 275.2021 (8.55), 231.2133 (0.48), 223.1336 (14.32), 195.1383 (12.33), 179.1431 (0.79), 111.0799 (0.55), 87.0948 (0.48), 71.0035 (0.60), 59.0121 (0.58) | 16.12 |
| 14 | dihydroxyoctadecapentaenoic acid | C18H26O4 | 305.1767 | 305.1763 (100), 287.1656 (9.13), 269.1551 (1.59), 233.1180 (1.94), 221.1179 (2.00), 205.1594 (5.28), 185.1177 (2.68), 163.1124 (1.62), 151.1119 (1.92), 135.0803 (98.45), 125.0959 (19.2), 97.0644 (16.61), 79.0538 (11.99), 57.0330 (2.23) | 13.25 |
| 15 | dihydroxyoctadecatetraenoic acid | C18H28O4 | 307.1923 | 307.1921 (37.36), 289.1814 (23.68), 235.1338 (100), 211.1335 (38.20), 185.1175 (87.44), 167.1442 (0.73), 141.1270 (1.03), 137.0961 (2.41), 125.0959 (33.31), 121.0645 (91.93), 97.0644 (64.24), 83.0488 (0.99), 65.0381 (42.23), 71.0487 (32.56), 57.0329 (2.65) | 12.30 |
| 16 | dihydroxyoctadecatrienoic acid | C18H30O4 | 309.2080 | 309.2076 (100), 291.1970 (59.85), 273.1873 (8.87), 229.1957 (4.12), 263.2017 (4.89), 251.1652 (56.36), 225.1493 (37.13), 209.1541 (83.09), 197.1175 (41.33), 175.1483 (1.44), 135.1164 (1.17), 11,100,799 (14.94), 97.0641 (5.35), 83.0487 (2.08), 71.0486 (7.65), 57.0331 (0.96) | 14.03 |
| 17 | dihydroxyoctadecadienoic acid | C18H32O4 | 311.2237 | 311.2232 (100), 293.2125 (15.19),275.2009 (2.93), 249.2224 (0.56), 227.2135 (0.28), 211.1335 (15.79), 197.1177 (8.26), 171.1017 (17.25), 139.1116 (3.32), 129.0907 (7.02), 113.0956 (2.08), 99.0798 (1.62), 83.0488 (0.42), 57.0330 (1.32) | 15.11 |
| 18 | trihydroxyoctadecatetraenoic acid | C18H28O5 | 323.1873 | 323.1861 (61.84), 305.1762 (68.47), 287.1656 (58.74), 243.1755 (9.49), 237.1495 (89.71), 209.1178 (56.60), 171.1013 (14.89), 151.0754 (10.46), 135.0801 (11.94), 125.0958 (11.83), 113.0594 (100), 95.0487 (57.09), 83.0488 (26.95), 71.0487 (28.29), 57.0332 (12.39) | 12.40 |
| 19 | trihydroxyoctadecatrienoic acid | C18H30O5 | 325.2017 | 325.2017 (24.32), 307.1913 (19.90), 289.1813 (83.61), 245.1910 (6.28), 237.1495 (100), 211.1335 (1.82), 201.1126 (49.71), 197.1170 (2.71), 171.1021 (2.09), 123.0804 (3.10), 109.0646 (6.46), 83.0486 (3.38), 57.0331 (9.74) | 11.29 |
| 20 | trihydroxyoctadecenoic acid | C18H34O5 | 329.2342 | 329.2337 (100), 311.2227 (0.90), 293.2119 (0.92), 268.9841 (0.37), 229.1442 (6.79), 211.1337 (10.37), 183.1380 (0.92), 171.1017 (26.15), 157.1231 (1.46), 139.1116 (9.08), 127.1115 (3.29), 99.0801 (4.46), 69.0964 (0.89), 87.0329 (1.24) | 10.68 |