Table 2:
HMDB putative aldehyde hits (14) detected in two urine samples. a. CAX-labeled aldehyde mass, b. hits found in male urine and c. hits found in female urine.
| Observed Mass (m/z, Da)*a | RT (min) | (Accurate Mass, Da) | Error (PPM) | HMDB ID | Name b,c |
|---|---|---|---|---|---|
| 90.0316 (387.2636) | 18.4 | 90.03169 | 3 | HMDB0001051 | Glyceraldehyde b,c |
| 110.047 (407.2788) | 23.8 | 110.0480 | 9 | HMDB0003905 | Imidazole-4-acetaldehyde c |
| 122.0366 (419.2686) | 19.8 | 122.0367 | 2 | HMDB0011718 HMDB0186744 HMDB0034170 |
4-Hydroxybenzaldehyde 3-hydroxybenzaldehyde Hydroxybenzaldehyde (2-Furanyl)-2-propenalb |
| 130.0636 (427.2965) | 22.5 | 130.0629 | 8 | HMDB0012882 HMDB0163705 |
Adipate semialdehyde 3-(hydroxymethyl)-4-oxopentanal b,c |
| 134.0574 (431.2894) | 18.2 | 134.0579 | 7 | HMDB0167973 | 3,4,5-trihydroxypentanal b,c |
| 159.0682 (456.3002) | 21.1 | 159.0684 | 3 | HMDB0001190 | Indoleacetaldehyde b |
| 160.0540 (457.2860) | 19.9 | 160.0524 | 10 | HMDB0036073 HMDB0041009 |
7-Methyl-2-benzofurancarboxaldehyde Viburtinal b,c |
| 164.0469 (461.2789) | 22.7 | 164.0473 | 2 | HMDB0141768 HMDB0141767 HMDB0134031 HMDB0134029 |
3-(4-hydroxyphenyl)oxirane-2-carbaldehyde 3-(2-hydroxyphenyl)oxirane-2-carbaldehyde (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enal 3-(2,5-dihydroxyphenyl)prop-2-enal (2E)-3-(3,4-dihydroxyphenyl)prop-2-enal 3-(2,3-dihydroxyphenyl)prop-2-enalb |
| 190.0477 (487.2797) | 21.2 | 190.0486 | 3 | HMDB0037815 | 5-(Methylthio)-2-[(methylthio)methyl]-2- pentenal b |
| 194.0779 (491.3099) | 17.7 | 194.0765 | 8 | HMDB0151284 | 2-benzyl-3-(methylsulfanyl)propanal b,c |
| 210.0730 (507.3050) | 17.5 | 210.0714 | 7 | HMDB0151295 HMDB0151298 HMDB0151294 HMDB0151292 HMDB0151293 |
2-[(4-hydroxyphenyl)methyl]-3-(methylsulfanyl)propanal 2-benzyl-2-hydroxy-3-(methylsulfanyl)propanal 2-benzyl-3-methanesulfinylpropanal 2-[(3-hydroxyphenyl)methyl]-3-(methylsulfanyl)propanal 2-[(2-hydroxyphenyl)methyl]-3-(methylsulfanyl)propanal 3-hydroxy-2-[(methylsulfanyl)methyl]-3-phenylpropanal b,c |
| 294.0867 (591.3187) | 21.6 | 294.0892 | 8 | HMDB0131333 | 3-[2-(2H-1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propanal c |
| 309.1361 (606.3681) | 19.9 | 309.1364 | 2 | HMDB0165792 | 2-[3,4-dimethoxy-10- (methylamino)phenanthren-1-yl]acetaldehyde b,c |
| 312.0969(609.3289) | 22.1 | 312.0997 | 9 | HMDB0149082 | 3-[2-(3,4-dihydroxyphenyl)-7-methoxy-1-benzofuran-5-yl]propanal c |