Metabolite | Formula [M + H]+ | Exact mass (M + H) | Normalized peak intensity | Variable important in the projection | |||||
---|---|---|---|---|---|---|---|---|---|
Control group (n = 40) | Whole-grain group (n = 40) | Baseline vs. follow-up | 12-weeks | ||||||
Baseline | Follow-up | Baseline | Follow-up | Control | Whole-grain | Control vs. whole grain | |||
L-Valine | C5H11NO2 | 118.0868 | 1,338,114 ± 39,666 | 1,323,676 ± 36,213 | 1,328,470 ± 41,793 | 1,376,655 ± 34,768 | 0.7807 | 0.1901 | 1.0144 |
L-Leucine | C6H13NO2 | 132.1025 | 3,130,607 ± 99,839 | 3,098,031 ± 98,593 | 3,130,777 ± 107,368 | 3,166,315 ± 85,278 | 0.4904 | 0.5781 | 0.7853 |
L-Phenylalanine | C9H11NO2 | 166.0868 | 1,984,169 ± 49,821 | 1,914,567 ± 45,393 | 1,997,467 ± 84,582 | 1,975,319 ± 41,491 | 0.6137 | 1.1072 | 0.7382 |
Oleamide | C18H35NO | 282.2797 | 11,074,949 ± 815,519 | 11,182,173 ± 1,054,856 | 11,348,184 ± 805,164 | 12,102,398 ± 709,965 | 8.4316 | 19.2720 | 6.6270 |
C17 Sphinganine | C17H37NO2 | 288.2903 | 323,013 ± 20,549 | 441,137 ± 24,748* | 333,258 ± 29,775 | 355,950 ± 25,250 | 0.9135 | 1.3462 | 0.1114 |
(4E,8E,10E-d18:3) Sphingosine | C18H33NO2 | 296.2590 | 420,731 ± 59,507 | 832,979 ± 152,996 | 608,061 ± 81,037 | 754,737 ± 66,758 | 1.5120 | 8.8050 | 2.2736 |
Anandamide (18:4, n-3) | C20H33NO2 | 320.2590 | 170,194 ± 28,584 | 237,343 ± 31,518 | 209,059 ± 26,262 | 213,643 ± 16,101 | 0.1156 | 1.4954 | 0.5840 |
LysoPC (14:0) | C22H46NO7P | 468.3090 | 480,474 ± 33,898 | 503,684 ± 38,015 | 625,962 ± 45,904 | 537,767 ± 45,983 | 1.5352 | 0.7142 | 0.2242 |
LysoPC (16:1) | C24H48NO7P | 494.3247 | 1,133,250 ± 77,052 | 1,033,013 ± 69,288 | 1,261,066 ± 78,064 | 1,127,811 ± 88,549 | 2.3243 | 1.4177 | 1.0354 |
LysoPC (16:0) | C24H50NO7P | 496.3403 | 15,953,932 ± 573,566 | 15,910,457 ± 684,453 | 16,830,932 ± 686,817 | 15,967,767 ± 537,944 | 15.3974 | 7.7607 | 4.7470 |
LysoPC (17:0) | C25H52NO7P | 510.3560 | 689,578 ± 58,089 | 710,335 ± 73,384 | 758,848 ± 49,685 | 733,637 ± 53,343 | 0.5841 | 1.3389 | 0.1217 |
LysoPC (18:3) | C26H48NO7P | 518.3247 | 620,814 ± 20,714 | 591,900 ± 19,836 | 658,460 ± 22,577 | 675,799 ± 31,645 | 0.1217 | 0.3985 | 1.1643 |
LysoPC (18:2) | C26H50NO7P | 520.3403 | 6,388,637 ± 262,115 | 6,025,486 ± 300,959 | 6,617,717 ± 260,021 | 6,878,238 ± 274,508 | 2.2535 | 4.8170 | 15.1889 |
LysoPC (18:1) | C26H52NO7P | 522.3560 | 5,375,808 ± 229,038 | 5,364,828 ± 250,194 | 5,593,899 ± 214,117 | 5,425,134 ± 241,245 | 4.2976 | 3.7059 | 4.2779 |
LysoPC (18:0) | C26H54NO7P | 524.3716 | 5,661,866 ± 195,118 | 5,610,496 ± 261,241 | 5,976,007 ± 255,107 | 5,830,224 ± 224,489 | 2.5863 | 3.3556 | 5.4463 |
LysoPC (20:5) | C28H48NO7P | 542.3247 | 771,884 ± 61,530 | 784,374 ± 53,112 | 997,008 ± 89,800 | 876,925 ± 59,723 | 2.1218 | 0.4055 | 1.2595 |
LysoPC (20:4) | C28H50NO7P | 544.3403 | 2,512,566 ± 118,266 | 2,294,343 ± 118,562 | 2,188,892 ± 126,719 | 1,958,744 ± 83,560 | 2.9839 | 3.3959 | 6.5629 |
LysoPC (22:6) | C30H50NO7P | 568.3403 | 1,268,789 ± 89,205 | 1,160,444 ± 72,253 | 1,322,936 ± 96,792 | 1,153,481 ± 79,319 | 1.8183 | 1.6819 | 0.2714 |
SM (d18:0/16:1) | C39H79N2O6P | 703.5754 | 918,463 ± 110,095 | 628,987 ± 81,863 | 1,046,537 ± 118,533 | 1,088,608 ± 142,939 | 0.9346 | 4.2113 | 7.9088 |
Lactosylceramide (d18:1/12:0) | C42H79NO13 | 806.5630 | 5,977,825 ± 630,100 | 8,134,712 ± 703,408 | 6,832,476 ± 741,718 | 5,908,934 ± 712,523 | 4.8718 | 8.3007 | 5.9197 |
1PCs | 44,523,937 ± 2,514,233 | 44,154,177 ± 1,968,873 | 43,454,754 ± 2,366,214 | 50,137,749 ± 2,118,552 |