Open Access
Table 2
OPLS-DA: variables expressed in the upper and lower part of the S-plot.
| LM (Lower part of S-plot) | OM (Upper part of S-plot) | ||||||
|---|---|---|---|---|---|---|---|
| RT (min) | m/z | Ion fragment | Assignment | RT (min) | m/z | Ion fragment | Assignment |
| 6.4 | 307.262 | [M – (n−1)*(EO) + H – H2O]+ | MEPEG (18:2) | 8.7 | 309.277 | [M – (n−1)*(EO) + H – H2O]+ | MEPEG (18:1) |
| 33.6 | 599.501 | [M + H – H2O]+ | DG (18:2/18:2) | 60.2 | 603.533 | [M + H – H2O]+ | DG (18:1/18:1) |
| 35.9 | 307.262 | [M – (n−1)*(EO) + H – RCOOH]+ | DEPEG (18:2/18:2) | 63.1 | 309.278 | [M – (n−1)*(EO) + H – RCOOH]+ | DEPEG (18:1/18:1) |
| 116.5 | 599.501 | [M + H – RCOOH]+ | TG (18:2/18:2/18:2) | 138.2 | 603.535 | [M + H – RCOOH]+ | TG (18:1/18:1/18:1) |
| 125.4 | 881.757 | [M + H]+ | TG (18:2/18:2/18:1) | 132.3 | 883.772 | [M + H]+ | TG (18:1/18:2/18:1) |
| 126.9 | 855.741 | [M + H]+ | TG (18:2/18:2/16:0) | 139.7 | 577.517 | M + H – RCOOH]+ (DG 18:1/16:0) [M + H – RCOOH]+ (DG 18:1/18:1) |
TG (18:1/16:0/18:1) |
| 133.8 | 575.501 577.517 |
[M + H – RCOOH]+ (DG 18:2/16:0) [M + H – RCOOH]+ (DG 18:1/16:0) |
TG (18:1/16:0/18:2) | 144.4 | 605.55 | [M + H – RCOOH]+ (DG 18:1/18:1) [M + H – RCOOH]+ (DG 18:1/18:0) |
TG (18:1/18:0/18:1) |
| 135.6 | 551.501 575.501 |
[M + H – RCOOH]+ (DG 16:0/16:0) [M + H – RCOOH]+ (DG 18:2/16:0) |
TG (18:2/16:0/16:0) | – | – | – | – |
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