ABCDEFGHIJKLMNOPQRSTUVWXYZAAABACADAE
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CalculationFormula
Synonyms in Software Tools
https://rdrr.io/bioc/CAMERA/man/ruleSet-class.html
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MetaboCoreUtils namein R?ChargemultiplicativeadditiveadditionsubtractionSIRIUSMetFragmzMineMassBankenviPatCAMERAGNPSAgilentWatersBruker MetaboScapeDamont et alOthers
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[M+3H]3+y3+1/33 * 1.007276 / 3H3[M+3H]3+M+3H[M+3H]3+[M+3H]3+
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[M+2H+Na]3+y3+1/3(2 * 1.007276 + 1 * 22.98922) / 3H2Na[M+2H+Na]3+M+2H+Na[M+2H+Na]3+
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[M+H+2Na]3+y3+1/3(1 * 1.007276 + 2 * 22.98922) / 3HNa2[M+H+2Na]3+M+H+2Na[M+H+2Na]3+
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[M+3Na]3+y3+1/3(3 * 22.98922) / 3Na[M+3Na]3+M+3Na[M+3Na]3+
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[M+2H]2+y2+1/2(2 * 1.007276) / 2H2Na[M+2H]2+M+2H[M+2H]2+(M+2H)+2[M+2H]2+
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[M+H+NH4]2+y2+1/2(1.007276 + 18.03383) / 2H2Na[M+H+NH4]2+M+H+NH4[M+H+NH4]2+
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[M+H+K]2+y2+1/2(1.007276 + 38.96316) / 2HK[M+H+K]2+M+H+K[M+H+K]2+
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[M+H+Na]2+y2+1/2(1.007276 + 22.98922) / 2HNa[M+H+Na]2+M+H+Na[M+H+Na]2+
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[M+C2H3N+2H]2+y2+1/2(2 * 1.007276 + 41.02655) / 2C2H5N[M+ACN+2H]2+M+ACN+2H[M+C2H3N+2H]2+
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[M+2Na]2+y2+1/22 * 22.98922 / 2Na2[M+2Na]2+M+2Na[M+2Na]2+[M+2Na]2+
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[M+C4H6N2+2H]2+y2+1/2(2 * 1.007276 + 2 * 41.02655) / 2C4H8N2[M+2ACN+2H]2+M+2ACN+2H[M+C4H6N2+2H]2+[M+2ACN+2H]2+
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[M+C6H9N3+2H]2+y2+1/2(2 * 1.007276 + 3 * 41.02655) / 2C6H11N3[M+3ACN+2H]2+M+3ACN+2H[M+C6H9N3+2H]2+[M+3ACN+2H]2+
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[M]+n1+1[M]+[M]+[M]+M+[M]+
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[M+H]+y1+11.007276H[M+H]+[M+H]+[M+H]+[M+H]+M+H[M+H]+(M+H)+(M+H)+[M+H]+
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[M+Li]+y1+17.015456Li[M+Li]+
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[M+2Li-H]+y1+12 * 7.015456 - 1.007276Li2H[M+2Li-H]+[M+2Li-H]+
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[M+NH4]+y1+118.03383NH4[M+H3N+H]+[M+NH4]+[M+NH4]+[(M+NH3)+H]+M+NH4(M+NH4)+(M+NH4)+[M+NH4]+
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[M+H2O+H]+y1+119.01784H3O[M+H2O+H]+[M+H2O+H]+
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[M+Na]+y1+122.98922Na[M+Na]+[M+Na]+[M+Na]+[M+Na]+M+Na[M+Na]+(M+Na)+(M+Na)+[M+Na]+
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[M+CH4O+H]+y1+11.007276 + 32.02621CH5O[M+CH4O+H]+[M+CH3OH+H]+[M+CH3OH+H]+M+CH3OH+H(M+MeOH+H)+[M+CH4O+H]+[M+MeOH+H]+
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[M+K]+y1+138.96316K[M+K]+[M+K]+[M+K]+M+K[M+K]+(M+K)+(M+K)+[M+K]+
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[M+C2H3N+H]+y1+11.007276 + 41.02655C2H4N[M+C2H3N+H]+[M+ACN+H]+[M+ACN+H]+M+ACN+H(M+ACN+H)+[M+C2H3N+H]+
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[M+2Na-H]+y1+12 * 22.98922 - 1.007276Na2H[M-H+Na+Na]+[M+2Na-H]+[M+2Na-H]+M+2Na-H[M+2Na-H]+[M+2Na-H]+[M+2Na-H]+
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[M+2K-H]+y1+12 * 38.96316 - 1.007276K2H[M-H+K+K]+[M+2K-H]+M+2K-H[M+2K-H]+[M+2K-H]+[M+2K-H]+
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[M+C3H8O+H]+y1+11.007276 + 60.05751C3H9O[M+C3H8O+H]+[M+IsoProp+H]+M+IsoProp+H[M+C3H8O+H]+[M+iPrOH+H]+
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[M+C2H3N+Na]+y1+122.98922 + 41.02655C2H3NNa[M+C2H3N+Na]+[M+ACN+Na]+[M+ACN+Na]+M+ACN+Na[M+C2H3N+Na]+[M+ACN+Na]+
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[M+C2H6OS+H]+y1+11.007276 + 78.01394C2H7OS[M+C2H6OS+H]+M+DMSO+H[M+C2H6OS+H]+[M+DMSO+H]+
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[M+C4H6N2+H]+y1+11.007276 + 2 * 41.02655C4H7N2[M+C4H6N2+H]+[M+2ACN+H]+[M+2ACN+H]+(M+2ACN+H)+[M+C4H6N2+H]+[M+2ACN+H]+
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[2M+H]+y1+21.007276H[2M+H]+[2M+H]+2M+H[2M+H]+[2M+H]+
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[2M+NH4]+y1+218.03383NH4[2M+NH4]+2M+NH4[2M+NH4]+
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[2M+Na]+y1+222.98922Na[2M+Na]+2M+Na[2M+Na]+[2M+Na]+
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[2M+K]+y1+238.96316K[2M+K]+2M+K[2M+K]+[2M+K]+
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[2M+C2H3N+H]+y1+21.007276 + 41.02655C2H4N[2M+ACN+H]+2M+ACN+H[2M+C2H3N+H]+[2M+ACN+H]+
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[2M+C2H3N+Na]+y1+222.98922 + 41.02655C2H3NNa[2M+ACN+Na]+2M+ACN+Na[2M+C2H3N+Na]+[2M+ACN+Na]+
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[3M+H]+y1+31.007276H[3M+H]+
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M+IsoProp+Na+H
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2M+3H2O+2H
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[M]+*
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[M+H-H2O]+
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[M+H-C6H10O4]+
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[M+H-C6H10O5]+
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[2M+2H]2+
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[2M+2K-H]+
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[2M+2K]2+
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[2M+2Na-H]+
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[2M+2Na]2+
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[2M+2Na+2K-H]3+
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[2M+2Na+2K]4+
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[2M+2Na+3K-H]4+
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[2M+2Na+K-H]2+
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[2M+2Na+K]3+
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[2M+3H]3+
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[2M+3K-H]2+
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[2M+3Na-H]2+
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[2M+3Na+2K-H]4+
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[2M+3Na+K-H]3+
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[2M+H+K]2+
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[2M+H+Na]2+
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[2M+Na+2K-H]2+
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[2M+Na+2K]3+
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[2M+Na+3K-H]3+
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[2M+Na+K-H]+
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[2M+Na+K]2+
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[3M+2H]2+
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[3M+2K-H]+
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[3M+2K]2+
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[3M+2Na-H]+
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[3M+2Na]2+
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[3M+2Na+2K-H]3+
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[3M+2Na+2K]4+
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[3M+2Na+3K-H]4+
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[3M+2Na+K-H]2+
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[3M+2Na+K]3+
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[3M+3H]3+
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[3M+3K-H]2+
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[3M+3Na-H]2+
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[3M+3Na+2K-H]4+
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[3M+3Na+K-H]3+
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[3M+H+K]2+
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[3M+H+Na]2+
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[3M+K]+
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[3M+Na]+
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[3M+Na+2K-H]2+
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[3M+Na+2K]3+
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[3M+Na+3K-H]3+
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[3M+Na+K-H]+
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[3M+Na+K]2+
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[M+2H-C2H4]2+
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[M+2H-C3H2O3]2+
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[M+2H-C4H8]2+
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[M+2H-C5H8O4]2+
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[M+2H-C6H10O4]2+
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[M+2H-C6H10O5]2+
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[M+2H-C6H8O6]2+
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[M+2H-CH2]2+
99
[M+2H-CH3]2+
100
[M+2H-CH4]2+