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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