Supplementary Table 3.
DHA bioactive metabolome | Q1 | Q3 | Group 1 |
Group 2 |
||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
2-2529 AOB | 3-2445 AOB | 8-1822 AOB | 9-2417 AOB | 10-2200 AOB | 5-1026 AOB | 4-1486 AOB | 1-2320 AOB | 6-2419 AOB | 7-1702 AOB | |||
RvD1 | 375 | 141 | — | — | 2.2 | 0.8 | 2.7 | 3.3 | 1.7 | 19.1 | 1.0 | 1.8 |
RvD2 | 375 | 141 | 2.9 | 1.7 | 2.1 | 0.9 | 3.8 | — | — | — | 4.9 | 11.2 |
RvD3 | 375 | 147 | — | — | 2.8 | 5.1 | 0.7 | 3.1 | 3.4 | 1.1 | 0.0 | 0.6 |
RvD4 | 375 | 101 | — | — | 0.2 | 0.7 | 0.8 | 1.0 | 0.5 | 1.5 | 1.3 | 0.2 |
RvD5 | 359 | 199 | 7.2 | 6.8 | — | 1.3 | — | 12.4 | 3.3 | 13.8 | 4.6 | 8.6 |
RvD6 | 359 | 101 | — | — | 0.8 | — | 0.6 | 23.1 | 115.0 | — | 5.0 | — |
17R-RvD1 | 375 | 141 | 139.6 | 0.2 | — | — | — | — | — | — | — | — |
17R-RvD3 | 375 | 147 | — | — | 15.1 | 0.3 | — | — | — | — | — | 2.6 |
PD1 | 359 | 153 | 0.3 | 3.8 | — | — | — | — | 10.7 | 7.4 | 3.3 | 1.0 |
17R-PD1 | 359 | 153 | — | 1.1 | 7.8 | 3.9 | 3.6 | — | — | 1.6 | 3.5 | — |
10S,17S-diHDHA | 359 | 153 | — | 1.1 | — | — | 11.1 | — | — | — | — | — |
22-OH-PD1 | 375 | 153 | 1.7 | — | — | — | — | 0.9 | — | — | — | — |
MaR1 | 359 | 221 | — | — | — | — | — | 1.1 | — | — | — | — |
7S,14S-diHDHA | 359 | 221 | — | — | — | 11.5 | — | — | — | 6.6 | — | — |
4S,14S-diHDHA | 359 | 101 | 10.3 | — | 4.9 | 4.9 | — | 1.8 | — | — | — | 4.7 |
n-3 DPA bioactive metabolome | ||||||||||||
RvT1 | 377 | 239 | 3.0 | 1.4 | 1.2 | 2.8 | 0.3 | 3.5 | 3.5 | 4.4 | 2.1 | 0.3 |
RvT2 | 377 | 197 | 0.6 | — | — | — | — | 1.4 | — | — | 0.3 | 0.3 |
RvT3 | 377 | 197 | 2.3 | 0.7 | 3.3 | — | 1.5 | — | 2.0 | 20.6 | 0.3 | 1.0 |
RvT4 | 377 | 211 | 9.5 | 3.0 | 33.3 | — | 8.4 | — | 7.9 | 77.7 | 1.5 | 5.1 |
RvD1n-3 DPA | 377 | 143 | 47.4 | 2.3 | 12.7 | 5.0 | — | 2.9 | 3.7 | 35.5 | — | 6.8 |
RvD2n-3 DPA | 377 | 215 | 2.2 | 2.2 | — | 0.8 | — | 1.7 | 2.2 | — | — | 2.3 |
RvD5n-3 DPA | 361 | 199 | — | — | 26.0 | — | — | 9.5 | — | 266.9 | 3.4 | — |
PD1n-3 DPA | 361 | 183 | 10.9 | 34.2 | 413.2 | 13.8 | — | 259.8 | 265.9 | — | 192.7 | 327.9 |
10S,17S-diHDPA | 361 | 183 | — | — | — | — | — | — | — | — | — | — |
MaR1n-3 DPA | 361 | 223 | 154.1 | 7.4 | — | 12.1 | — | — | — | 30.4 | 13.6 | — |
7S, 14S-diHDPA | 361 | 223 | — | 8.3 | — | 6.2 | — | 15.0 | 41.4 | 18.4 | 5.5 | 28.7 |
EPA bioactive metabolome | ||||||||||||
RvE1 | 349 | 195 | 1.6 | — | 1.1 | — | 20.7 | 1.5 | 0.8 | 7.6 | — | 0.6 |
RvE2 | 333 | 199 | 6.6 | — | 11.1 | — | 118.1 | 9.1 | 3.2 | 29.1 | — | 3.0 |
RvE3 | 333 | 201 | 2.5 | 26.2 | 37.9 | 2.4 | 5.0 | 3.1 | 18.8 | 7.1 | 23.7 | 13.8 |
AA bioactive metabolome | ||||||||||||
LXA4 | 351 | 217 | 0.8 | — | — | — | 1.0 | — | 1.2 | — | 1.7 | 8.0 |
LXB4 | 351 | 221 | 16.0 | — | 147.4 | — | — | — | 64.0 | 169.6 | 44.0 | 167.8 |
5S,15S-diHETE | 335 | 235 | 10.8 | — | 148.3 | 35.0 | 29.4 | 486.1 | 118.4 | 110.1 | 29.6 | 83.1 |
AT-LXA4 | 351 | 217 | — | — | 17.7 | — | — | 12.0 | 6.1 | 3.5 | — | 3.5 |
AT-LXB4 | 351 | 221 | — | — | — | — | 6.6 | — | — | — | — | 21.9 |
LTB4 | 335 | 195 | 40.6 | 33.4 | 9.1 | 15.9 | 93.3 | 27.5 | 40.2 | 7.0 | 281.3 | 596.6 |
5S,12S-diHETE | 335 | 195 | 4.5 | 0.4 | 2.4 | 11.1 | 3.3 | 5.3 | 2.4 | 1.3 | 9.7 | 13.0 |
20-OH-LTB4 | 351 | 195 | 3.6 | 43.0 | 3.8 | 15.3 | 50.4 | 11.6 | 87.1 | 4.0 | 486.7 | 1106.0 |
LTC4 | 626 | 189 | 12.2 | 35.8 | 38.7 | 139.5 | 28.9 | 88.6 | — | 11.7 | — | 23.0 |
LTD4 | 497 | 189 | — | 12.4 | 17.7 | 17.2 | 7.8 | — | — | — | — | — |
LTE4 | 440 | 189 | 0.8 | 59.3 | 144.1 | 62.9 | 61.1 | 240.2 | 34.9 | 10.7 | 97.9 | 0.1 |
PGD2 | 351 | 189 | 8.1 | 13.1 | 4.1 | 30.1 | 14.9 | 55.5 | 36.9 | 6.0 | 34.0 | 34.7 |
PGE2 | 351 | 189 | 14.0 | 23.4 | 32.4 | 11.4 | 24.8 | 111.9 | 105.2 | 7.5 | 112.5 | 81.5 |
PGF2α | 353 | 193 | 25.5 | 26.9 | 60.4 | 55.1 | 63.2 | 167.5 | 180.4 | 62.8 | 48.2 | 71.2 |
TxB2 | 369 | 169 | 1142.4 | 623.8 | 2566.2 | 780.2 | 1781.9 | 1939.9 | 6946.8 | 408.4 | 15370.6 | 9075.9 |
NOTE. Results are expressed as pg/mL. Em dash = below limit; limit ≈ 0.1 pg. With Q1, M-H (parent ion); and Q3, diagnostic ion in the tandem mass spectrometry (daughter ion).
AA, arachidonic acid; DHA, docosahexaenoic acid; DPA, docosapentaenoic acid; EPA, eicosapentaenoic acid.