Molecule
8-CHLOROTHEOPHYLLINE; ESI-QTOF; MS2; CE 30 eV; [M]-
8-Chlorotheophylline; LC-ESI-Q; MS; NEG; 30 V
8-Chlorotheophylline; LC-ESI-Q; MS; POS; 15 V, 30 V
8-Chlorotheophylline; LC-ESI-Q; MS; POS; 45 V
8-Chlorotheophylline; LC-ESI-Q; MS; POS; 60 V
8-Chlorotheophylline; LC-ESI-Q; MS; POS; 75 V, 90 V
8-chloro-1,3-dimethyl-7H-purine-2,6-dione
Chemical Information
6 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol52973 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 15043203 | PubChem: Thomson Pharma |
| 10661 | PubChem |
| PD013887 | ProbesDrugs |
| 16386903 | PubChem: Thomson Pharma |
| 85-18-7 | ACToR |
| SCHEMBL411139 | SureChEMBL |
| GE2UA340FM | FDA SRS |
| 1122762 | eMolecules |
| 536414 | eMolecules |
| DB14132 | DrugBank |
| CB1401343 | ChemicalBook |
| 16911 | Brenda |
| ZINC000100018165 | ZINC |
| MCULE-4622251146 | Mcule |
| J4.911E | Nikkaji |
| DTXSID5043764 | EPA CompTox Dashboard |
| CHLORTHEOPHYLLINE | rxnorm |
| CHLOROTHEOPHYLLINE | rxnorm |
| 50331852 | BindingDB |
| HMDB0247429 | Human Metabolome Database |
| 139507 | Brenda |
| H33 | PDBe |
| CHEMBL88611 | ChEMBL |
| 59771 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |