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 | |||
Cyclopentanone dimethylhydrazone | C7H14N2 | 127.1235 | 82,551 ± 21,507 | 101,931 ± 26,693* | 43,192 ± 11,728 | 51,504 ± 14,505* | 0.0722 | 0.1523 | 1.0119 |
L-Pyroglutamic acid | C5H7NO3 | 130.0504 | 2,410,045 ± 108,001 | 2,075,511 ± 48,362* | 2,455,521 ± 70,667 | 2,484,381 ± 103,907†† | 0.1241 | 3.9771 | 2.6550 |
L-Leucine | C6H13NO2 | 132.1025 | 7,884,178 ± 309,297 | 7,922,462 ± 251,819 | 8,253,845 ± 170,803 | 7,531,331 ± 171,144** | 1.8209 | 3.1661 | 5.0363 |
Change | 38,283 ± 198,486 | −722,514 ± 145,341‡ | |||||||
L-Phenylalanine | C9H11NO2 | 166.0868 | 2,880,509 ± 113,266 | 2,755,872 ± 75,646 | 2,825,355 ± 101,371 | 2,761,323 ± 56,360 | 0.5962 | 0.6567 | 1.1474 |
Dihydrobiopterin | C9H13N5O3 | 239.1018 | 432,360 ± 23,845 | 335,279 ± 14,924*** | 427,487 ± 16,797 | 383,280 ± 15,727* | 0.4537 | 1.2616 | 0.4680 |
Palmitic amide | C16H33NO | 256.2640 | 354,492 ± 50,930 | 330,909 ± 44,809 | 490,272 ± 84,177 | 172,851 ± 26,551**,† | 2.7281 | 0.1468 | 2.0394 |
Ribothymidine | C10H14N2O6 | 258.0930 | 302,320 ± 22,108 | 239,902 ± 12,851** | 322,971 ± 16,498 | 311,114 ± 19,898† | 0.0730 | 0.5966 | 1.3107 |
Oleamide | C18H35NO | 282.2797 | 2,676,408 ± 412,881 | 3,257,688 ± 511,380 | 3,697,245 ± 621,193 | 1,491,246 ± 235,475*,† | 18.4793 | 8.3202 | 22.5845 |
Change | 581,279 ± 634,410 | −2,205,998 ± 651,404‡ | |||||||
LysoPC(16:0) | C24H50NO7P | 496.3403 | 414,438 ± 44,544 | 645,199 ± 57,544* | 549,155 ± 59,016 | 383,399 ± 35,718*,†† | 2.7864 | 2.8925 | 3.5066 |
Change | 230,762 ± 72,860 | −165,756 ± 63,955‡‡ | |||||||
LysoPC(18:0) | C26H54NO7P | 524.3716 | 285,044 ± 26,648 | 423,718 ± 34,129** | 364,186 ± 33,732 | 262,585 ± 23,409*,†† | 1.5197 | 1.7796 | 2.0579 |
Change | 138,674 ± 40,222 | −101,601 ± 42,602‡‡ |