Table 4.
m/z | Identity | Number of matches1 | Identification confidence2 | Change per IQR (95% CI) | p |
---|---|---|---|---|---|
221.0940 | Hippuric acid | 1 | −2.5 (−4.2, − 0.8) | 5.2E-03 | |
204.0086 | Methionine sulfoxide | 1 | 1 | 0.8 (0.3, 1.4) | 3.5E-03 |
402.0921 | Lactoylglutathione | 11 | 4 | 3.4 (1.0, 5.7) | 5.1E-03 |
177.0691 | Homocysteine | 1 | 1 | −2.4 (−4.3, −0.4) | 1.7E-02 |
156.1021 | 4-hydroxyhexenal | 16 | 4 | −2.6 (−4.5, −0.6) | 9.3E-03 |
214.0578 | Citrulline | 1 | 1 | −0.7 (−1.2, −0.1) | 1.6E-02 |
303.1179 | Dihydrobiopterin | 5 | 4 | −3.8 (−5.6, −2) | 9.8E-05 |
335.2214 | Thromboxane B2 | 5 | 4 | −3.8 (−6.2, −1.4) | 2.4E-03 |
227.1097 | Hydroxy-Lhomoarginine | 5 | 4 | −3.9 (−5.9, 1.8) | 4.2E-04 |
169.0860 | Agmatine | 11 | 4 | −4.2 (−6.4, −1.9) | 3.8E-04 |
209.0081 | Ornithine | 4 | 4 | 1.3 (0.3, 2.2) | 1.1E-02 |
217.1045 | Acetylagmatine | 1 | 4 | 1.9 (0.4, 3.3) | 1.1E-02 |
229.0682 | N-(omega)-Hydroxyarginine | 8 | 4 | 2.7 (0.9, 4.4) | 2.9E-03 |
132.0657 | Lactate | 19 | 4 | 3.1 (1.2, 4.9) | 1.7E-03 |
195.9779 | Threonine | 1 | 1 | −3.7 (−5.6, −1.9) | 1.5E-04 |
156.0278 | Aspartic acid | 1 | 1 | −3.6 (−6, −1.2) | 4.2E-03 |
216.1960 | alpha-Tocopherol | 4 | 4 | 1.9 (0.6, 3.2) | 6.1E-03 |
134.0635 | Asparagine | 1 | 1 | 2.6 (1, 4.2) | 1.7E-03 |
107.0537 | Serine | 1 | 1 | 4.1 (2.2, 6) | 6.1E-05 |
202.1074 | Pantothenic acid | 17 | 4 | 3.9 (1.6, 6.3) | 1.4E-03 |
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 4.