Nominal p-valuea (FDR) | Odds ratiob (95% confidence interval) | ||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Metabolite (ID levelc; Identifierd) | LC–MS Mode | RT (s) | m/z Main fragment (additional fragments) | Univariable | Multivariablee | UV, earlier samplesf | MV, earlier samplesg | Univariable | Multivariablef | UV, earlier samplesf | MV, earlier samplesg |
Unknown (5) | RP | 40.79 | 191.0403 (169.0584) | 0.0000 (0.0223) | 0.0000 (0.0970) | 0.1052 | 0.1500 | 0.7511 (0.6647–0.8488) | 0.7633 (0.6743–0.8640) | 0.8101 (0.6280–1.0451) | 0.8235 (0.6321–1.0728) |
Unknown phosphate C3H9N2O5P (4) | RP | 40.61 | 207.0142 | 0.0000 (0.0792) | 0.0001 (0.2458) | 0.3782 | 0.3501 | 0.7420 (0.6447–0.8540) | 0.7535 (0.6535–0.8688) | 0.8718 (0.6426–1.1829) | 0.8579 (0.6220–1.1832) |
Unknown (5) | RP | 407.11 | 696.2549 (697.2582) | 0.0001 (0.1481) | 0.0015 (0.4834) | 0.0382 | 0.0710 | 0.7639 (0.6653–0.8772) | 0.7930 (0.6871–0.9151) | 0.7032 (0.5041–0.9810) | 0.7254 (0.5119–1.0279) |
Unknown (5) | RP | 40.99 | 151.0478 | 0.0002 (0.1481) | 0.0005 (0.4834) | 0.0959 | 0.1724 | 0.8043 (0.7182–0.9007) | 0.8150 (0.7262–0.9145) | 0.7904 (0.5992–1.0425) | 0.8207 (0.6178–1.0901) |
Pyroglutamic acid (2; HMDB0000267) | RP | 40.75 | 130.0500 | 0.0002 (0.1481) | 0.0005 (0.4834) | 0.0621 | 0.1104 | 0.7903 (0.6990–0.8936) | 0.8025 (0.7087–0.9087) | 0.7488 (0.5526–1.0148) | 0.7751 (0.5669–1.0597) |
Unknown (5) | RN | 329.25 | 310.8388 (308.8412, 310.8388) | 0.0002 (0.1481) | 0.0007 (0.4834) | 0.9240 | 0.8366 | 0.8107 (0.7257–0.9057) | 0.8246 (0.7372–0.9223) | 0.9883 (0.7753–1.2597) | 1.0279 (0.7916–1.3347) |
Hydroxytigecycline (3; ChEBI ID 142709) | RP | 407.20 | 602.2791 | 0.0002 (0.1481) | 0.0012 (0.4834) | 0.0218 | 0.0504 | 0.7731 (0.6749–0.8857) | 0.7961 (0.6932–0.9143) | 0.6863 (0.4975–0.9466) | 0.7139 (0.5094–1.0006) |