Table 2 Possible aggregate and adducts in measured ions
From: Organization of GC/MS and LC/MS metabolomics data into chemical libraries
(m/z)adduct | NIMER | Ion Form | PROBABILITY(%) |
|---|---|---|---|
1.00728 | 3 | 3 m + H | 1 |
1.00728 | 4 | 4 m + H | 1 |
1.00728 | 5 | 5 m + H | 1 |
22.98977 | 3 | 3 m + Na | 1 |
22.98977 | 4 | 4 m + Na | 1 |
22.98977 | 5 | 5 m + Na | 1 |
1.00728 | 1 | m + H | 100 |
0 | 1 | m- | 10 |
1.00728 | 2 | 2 m + H | 50 |
22.98977 | 1 | m + Na | 90 |
22.98977 | 2 | 2 m + Na | 25 |
39.954 | 1 | m + K | 10 |
39.954 | 2 | 2 m + K | 5 |
-1.00728 | 1 | m-H | 100 |
39.954 | 4 | 4 m + K | 1 |
-1.00728 | 2 | 2 m-H | 50 |
44.9971 | 1 | m + Form | 99 |
-18.01002 | 1 | m-H2O | 80 |
39.954 | 5 | 5 m + K | 1 |
1.00728 | 3 | 3 m-H | 1 |
-1.00728 | 4 | 4 m-H | 1 |
-1.00728 | 5 | 5 m-H | 1 |
20.9741 | 2 | 2 m + Na-2H | 50 |
1.00728 | 6 | 6 m + H | 1 |
1.00728 | 7 | 7 m + H | 1 |
1.00728 | 8 | 8 m + H | 1 |
-17.01 | 1 | m + H-H20 | 1 |
34.9689 | 1 | m + Cl35 | 12 |
36.9659 | 1 | m + Cl35[Cl37] | 4 |
18.03437 | 1 | m + NH4 | 1 |