Name:
Adduct:
Polarity:
m/z:
±:
CCS: Å2
±: %
SMI:
Source:

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This is a collection of predicted m/z and CCS for 6 types of adducts of 1313196 molecules from 5 different sources

Here is a list of all adducts in the collection:

  • [M+H]+
  • [M+Na]+
  • [M-H]-
  • [M+K]+
  • [M+NH4]+
  • [M+Na-2H]-

Here is a list of all the sources in the collection.
You can find more information about each source at:

Name Adduct Structure m/z CCS SMI Source
Tetrahydrofolic acid [M+H]+ 446.1788 198.1 NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1 DrugBank
Tetrahydrofolic acid [M+Na]+ 468.1608 202.5 NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1 DrugBank
Tetrahydrofolic acid [M-H]- 444.1632 195.2 NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1 DrugBank
Tetrahydrofolic acid [M+K]+ 484.1347 209.0 NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1 DrugBank
Tetrahydrofolic acid [M+NH4]+ 463.233 202.8 NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1 DrugBank
Histidine [M+H]+ 156.0773 132.4 N[C@@H](CC1=CNC=N1)C(O)=O DrugBank
Histidine [M+Na]+ 178.0592 139.8 N[C@@H](CC1=CNC=N1)C(O)=O DrugBank
Histidine [M-H]- 154.0617 129.2 N[C@@H](CC1=CNC=N1)C(O)=O DrugBank
Histidine [M+K]+ 194.0332 139.1 N[C@@H](CC1=CNC=N1)C(O)=O DrugBank
Histidine [M+NH4]+ 173.1315 139.4 N[C@@H](CC1=CNC=N1)C(O)=O DrugBank
1 2 ... 6 7 8 9 10 11 12 ... 775236 775237