ESI Adduct Ions

This list of monoisotopic exact masses of ESI molecular ion adducts was obtained from the Metabolomics Fiehn Lab at UC Davis. The Result column shows an example calculation when M is Taxol, MW  = 853.33089

Ion name Ion mass Charge Mult Mass Result:
1. Positive ion mode
M+3H M/3 + 1.007276 3+ 0.33 1.007276 285.450906
M+2H+Na M/3 + 8.334590 3+ 0.33 8.334590 292.778220
M+H+2Na M/3 + 15.7661904 3+ 0.33 15.766190 300.209820
M+3Na M/3 + 22.989218 3+ 0.33 22.989218 307.432848
M+2H M/2 + 1.007276 2+ 0.50 1.007276 427.672721
M+H+NH4 M/2 + 9.520550 2+ 0.50 9.520550 436.185995
M+H+Na M/2 + 11.998247 2+ 0.50 11.998247 438.663692
M+H+K M/2 + 19.985217 2+ 0.50 19.985217 446.650662
M+ACN+2H M/2 + 21.520550 2+ 0.50 21.520550 448.185995
M+2Na M/2 + 22.989218 2+ 0.50 22.989218 449.654663
M+2ACN+2H M/2 + 42.033823 2+ 0.50 42.033823 468.699268
M+3ACN+2H M/2 + 62.547097 2+ 0.50 62.547097 489.212542
M+H M + 1.007276 1+ 1.00 1.007276 854.338166
M+NH4 M + 18.033823 1+ 1.00 18.033823 871.364713
M+Na M + 22.989218 1+ 1.00 22.989218 876.320108
M+CH3OH+H M + 33.033489 1+ 1.00 33.033489 886.364379
M+K M + 38.963158 1+ 1.00 38.963158 892.294048
M+ACN+H M + 42.033823 1+ 1.00 42.033823 895.364713
M+2Na-H M + 44.971160 1+ 1.00 44.971160 898.302050
M+IsoProp+H M + 61.06534 1+ 1.00 61.065340 914.396230
M+ACN+Na M + 64.015765 1+ 1.00 64.015765 917.346655
M+2K+H M + 76.919040 1+ 1.00 76.919040 930.249930
M+DMSO+H M + 79.02122 1+ 1.00 79.021220 932.352110
M+2ACN+H M + 83.060370 1+ 1.00 83.060370 936.391260
M+IsoProp+Na+H M + 84.05511 1+ 1.00 84.055110 937.386000
2M+H 2M + 1.007276 1+ 2.00 1.007276 1707.669056
2M+NH4 2M + 18.033823 1+ 2.00 18.033823 1724.695603
2M+Na 2M + 22.989218 1+ 2.00 22.989218 1729.650998
2M+3H2O+2H 2M + 28.02312 2+ 2.00 28.023120 1734.684900
2M+K 2M + 38.963158 1+ 2.00 38.963158 1745.624938
2M+ACN+H 2M + 42.033823 1+ 2.00 42.033823 1748.695603
2M+ACN+Na 2M + 64.015765 1+ 2.00 64.015765 1770.677545
2. Negative ion mode
M-3H M/3 – 1.007276 3- 0.33 -1.007276 283.436354
M-2H M/2 – 1.007276 2- 0.50 -1.007276 425.658169
M-H2O-H M- 19.01839 1- 1.00 -19.01839 834.312500
M-H M – 1.007276 1- 1.00 -1.007276 852.323614
M+Na-2H M + 20.974666 1- 1.00 20.974666 874.305556
M+Cl M + 34.969402 1- 1.00 34.969402 888.300292
M+K-2H M + 36.948606 1- 1.00 36.948606 890.279496
M+FA-H M + 44.998201 1- 1.00 44.998201 898.329091
M+Hac-H M + 59.013851 1- 1.00 59.013851 912.344741
M+Br M + 78.918885 1- 1.00 78.918885 932.249775
M+TFA-H M + 112.985586 1- 1.00 112.985586 966.316476
2M-H 2M – 1.007276 1- 2.00 -1.007276 1705.654504
2M+FA-H 2M + 44.998201 1- 2.00 44.998201 1751.659981
2M+Hac-H 2M + 59.013851 1- 2.00 59.013851 1765.675631
3M-H 3M – 1.007276 1- 3.00 1.007276 2560.999946