Table 2.
m/z | Associated exposure | Identity | Number of matches1 | Annotation confidence2 | Exposure β (95% CI) | p-value |
---|---|---|---|---|---|---|
155.1067 | EC | 4-oxo-2-Nonenal | 13 | 4 | −0.9 (−1.3, −0.5) | 4.88E-06 |
389.1350 | EC | 16-Hydroxy-4-carboxyretinoic acid | 15 | 4 | −2.4 (−3.7, −1.0) | 1.09E-03 |
105.0341 | EC | Benzoic acid | 1 | 1 | −3.7 (−5.8, −1.5) | 8.18E-04 |
167.9929 | EC | 2-Mercaptobenzothiazole | 1 | 4 | 2.3 (0.9, 3.7) | 1.61E-03 |
422.2357 | EC | Leukotriene E4 | 16 | 4 | 3.2 (1.4, 5.1) | 8.66E-04 |
223.1054 | EC | Dihydrobiopterin | 2 | 4 | 3.4 (1.5, 5.5) | 1.15E-03 |
854.373 | EC | Heme A | 1 | 4 | 3.9 (2.0,5.8) | 7.20E-05 |
130.0337 | OC | Methionine-sulfoxide | 1 | 1 | −1.8 (−2.2, −1.3) | 1.40E-12 |
311.1286 | OC | Porphyrin | 25 | 4 | −1.8 (−2.7, −1.0) | 7.10E-05 |
136.0622 | OC | Adenine | 2 | 4 | −2.4 (−3.8, −1.0) | 1.05E-03 |
157.1224 | OC | 4-hydroxynonenal | 28 | 4 | −2.8 (−4.2, −1.4) | 1.65E-04 |
589.2770 | OC | Mesoporphyrin | 2 | 4 | 2.7 (1.1, 4.3) | 1.35E-03 |
402.0927 | OC | Lactoylglutathione | 11 | 4 | 3.3 (1.6, 5.1) | 2.50E-04 |
107.0537 | OC | Serine | 1 | 1 | 3.5 (1.7, 5.3) | 2.00E-04 |
132.0657 | OC | L-Glutamate-5-semialdehyde | 19 | 4 | 3.9 (1.8, 6.1) | 3.70E-04 |
Total number of compounds matching accurate mass m/z using HMDB 3.0 at 10 ppm mass accuracy.
Identification confidence based upon Schymanski et al. (2014). Level 4 confidence levels are based upon accurate mass matching only, and do not inform on compound structures. The full list of metabolite matches from HMDB 3.0 are provided in Supplementary Table 1 (EC) and Supplementary Table 2 (OC).