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

Positive Ion Mode

Ion Name	Ion Mass	Charge	Mult	Mass	Result
M+3H M+2H+Na M+H+2Na M+3Na M+2H M+H+NH4 M+H+Na M+H+K M+ACN+2H M+2Na M+2ACN+2H M+3ACN+2H M+H M+NH4 M+Na M+CH3OH+H M+K M+ACN+H M+2Na-H M+IsoProp+H M+ACN+Na M+2K+H M+DMSO+H M+2ACN+H M+IsoProp+Na+H 2M+H 2M+NH4 2M+Na 2M+3H2O+2H 2M+K 2M+ACN+H 2M+ACN+Na	M/3 + 1.007276 M/3 + 8.334590 M/3 + 15.7661904 M/3 + 22.989218 M/2 + 1.007276 M/2 + 9.520550 M/2 + 11.998247 M/2 + 19.985217 M/2 + 21.520550 M/2 + 22.989218 M/2 + 42.033823 M/2 + 62.547097 M + 1.007276 M + 18.033823 M + 22.989218 M + 33.033489 M + 38.963158 M + 42.033823 M + 44.971160 M + 61.06534 M + 64.015765 M + 76.919040 M + 79.02122 M + 83.060370 M + 84.05511 2M + 1.007276 2M + 18.033823 2M + 22.989218 2M + 28.02312 2M + 38.963158 2M + 42.033823 2M + 64.015765	3+ 3+ 3+ 3+ 2+ 2+ 2+ 2+ 2+ 2+ 2+ 2+ 1+ 1+ 1+ 1+ 1+ 1+ 1+ 1+ 1+ 1+ 1+ 1+ 1+ 1+ 1+ 1+ 2+ 1+ 1+ 1+	0.33 0.33 0.33 0.33 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2	1.007276 8.33459 15.76619 22.989218 1.007276 9.52055 11.998247 19.985217 21.52055 22.989218 42.033823 62.547097 1.007276 18.033823 22.989218 33.033489 38.963158 42.033823 44.97116 61.06534 64.015765 76.91904 79.02122 83.06037 84.05511 1.007276 18.033823 22.989218 28.02312 38.963158 42.033823 64.015765	285.450906 292.77822 300.20982 307.432848 427.672721 436.185995 438.663692 446.650662 448.185995 449.654663 468.699268 489.212542 854.338166 871.364713 876.320108 886.364379 892.294048 895.364713 898.30205 914.39623 917.346655 930.24993 932.35211 936.39126 937.386 1707.669056 1724.695603 1729.650998 1734.6849 1745.624938 1748.695603 1770.677545

Negative Ion Mode

Ion Name	Ion Mass	Charge	Mult	Mass	Result
M-3H M-2H M-H2O-H M-H M+Na-2H M+Cl M+K-2H M+FA-H M+Hac-H M+Br M+TFA-H 2M-H 2M+FA-H 2M+Hac-H 3M-H	M/3 – 1.007276 M/2 – 1.007276 M- 19.01839 M – 1.007276 M + 20.974666 M + 34.969402 M + 36.948606 M + 44.998201 M + 59.013851 M + 78.918885 M + 112.985586 2M – 1.007276 2M + 44.998201 2M + 59.013851 3M – 1.007276	3- 2- 1- 1- 1- 1- 1- 1- 1- 1- 1- 1- 1- 1- 1-	0.33 0.5 1 1 1 1 1 1 1 1 1 2 2 2 3	-1.007276 -1.007276 -19.01839 -1.007276 20.974666 34.969402 36.948606 44.998201 59.013851 78.918885 112.985586 -1.007276 44.998201 59.013851 1.007276	283.436354 425.658169 834.3125 852.323614 874.305556 888.300292 890.279496 898.329091 912.344741 932.249775 966.316476 1705.654504 1751.659981 1765.675631 2560.999946