mz_00001 | 7.02080998 | |
| Beryllium | HMDB0002387 | Be | 9.012182135 | M+NH4-H2O | + | 7.02033 | 68 | InChI=1S/Be/q+2 | NA |
mz_00002 | 75.05547146 | |
| N-Nitrosodimethylamine | HMDB0031419 | C2H6N2O | 74.048012824 | M+H | + | 75.055289 | 2 | InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3 | -0.53 |
| Acetylhydrazine | HMDB0060428 | C2H6N2O | 74.048012824 | M+H | + | 75.055289 | 2 | InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5) | -0.78 |
| glycinamide | HMDB0062472 | C2H6N2O | 74.048012824 | M+H | + | 75.055289 | 2 | InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5) | -2.49 |
| Creatine | HMDB0000064 | C4H9N3O2 | 131.069476547 | M+H+NH4 | + | 75.055288 | 2 | InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) | -1.59 |
| Beta-Guanidinopropionic acid | HMDB0013222 | C4H9N3O2 | 131.069476547 | M+H+NH4 | + | 75.055288 | 2 | InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7) | -1.70 |
mz_00003 | 75.08059797 | |
| Pyrophosphate | HMDB0000250 | H4O7P2 | 177.943225506 | M+H+2Na | + | 75.080599 | 0 | InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6) | NA |
| UNKNOWN | HMDB0155221 | H4O7P2 | 177.943225506 | M+H+2Na | + | 75.080599 | 0 | NA | NA |
| 1-Butanol | HMDB0004327 | C4H10O | 74.073164942 | M+H | + | 75.080441 | 2 | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 | 0.84 |
| 2-Methylpropan-2-ol | HMDB0031456 | C4H10O | 74.073164942 | M+H | + | 75.080441 | 2 | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 | 0.70 |
| Isobutanol | HMDB0006006 | C4H10O | 74.073164942 | M+H | + | 75.080441 | 2 | InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 | 0.60 |
mz_00004 | 76.03942694 | |
| L-Aspartic acid | HMDB0000191 | C4H7NO4 | 133.037507717 | M+H+NH4 | + | 76.039304 | 2 | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 | -3.52 |
| UNKNOWN | HMDB0161401 | C2H4NO2 | 74.024751953 | M+H | + | 76.039304 | 2 | NA | NA |
| Ethyl nitrite | HMDB0031239 | C2H5NO2 | 75.032028409 | M+H | + | 76.039304 | 2 | InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3 | 0.42 |
| 1-deoxy-1-(N6-lysino)-D-fructose | HMDB0062186 | C4H7NO4 | 133.037507709 | M+H+NH4 | + | 76.039304 | 2 | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) | -3.52 |
| N-acetyl-seryl-aspartate | HMDB0062501 | C4H7NO4 | 133.037507709 | M+H+NH4 | + | 76.039304 | 2 | InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) | -3.52 |
mz_00005 | 76.07584477 | |
| 3-aminopropan-1-ol | HMDB0140038 | C3H9NO | 75.068413915 | M+H | + | 76.07569 | 2 | InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2 | -1.01 |
| 2-(methylamino)ethan-1-ol | HMDB0142449 | C3H9NO | 75.068413914 | M+H | + | 76.07569 | 2 | InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3 | -1.05 |
| Trimethylamine N-oxide | HMDB0000925 | C3H9NO | 75.068413915 | M+H | + | 76.07569 | 2 | InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 | -2.01 |
| 1-Amino-propan-2-ol | HMDB0012136 | C3H9NO | 75.068413915 | M+H | + | 76.07569 | 2 | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 | -1.03 |
| UNKNOWN | HMDB0168716 | C6H15NO2 | 133.110278727 | M+H+NH4 | + | 76.075689 | 2 | NA | NA |
mz_00006 | 76.07593168 | |
| 3-aminopropan-1-ol | HMDB0140038 | C3H9NO | 75.068413915 | M+H | + | 76.07569 | 3 | InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2 | -1.01 |
| 2-(methylamino)ethan-1-ol | HMDB0142449 | C3H9NO | 75.068413914 | M+H | + | 76.07569 | 3 | InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3 | -1.05 |
| Trimethylamine N-oxide | HMDB0000925 | C3H9NO | 75.068413915 | M+H | + | 76.07569 | 3 | InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 | -2.01 |
| 1-Amino-propan-2-ol | HMDB0012136 | C3H9NO | 75.068413915 | M+H | + | 76.07569 | 3 | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 | -1.03 |
| UNKNOWN | HMDB0168716 | C6H15NO2 | 133.110278727 | M+H+NH4 | + | 76.075689 | 3 | NA | NA |