Dataset
Nitenpyram; LC-ESI-QTOF; MS2; 60 V
Chemical Information
| InChI | InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+ |
|---|---|
| SMILES | CCN(Cc1ccc(Cl)nc1)\C(NC)=C\[N+]([O-])=O |
| InChI Key | CFRPSFYHXJZSBI-DHZHZOJOSA-N |
| Molecular Formula | C11H15ClN4O2 |
| Exact Mass | 270.088 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111011010 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2023-11-10 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 3A837VZ81Y | FDA SRS |
| PD021562 | ProbesDrugs |
| 120738-89-8 | ACToR |
| 16011309 | PubChem: Thomson Pharma |
| 60073351 | NMRShiftDB |
| 150824-47-8 | ACToR |
| 3034287 | PubChem |
| 26754890 | eMolecules |
| CB4763464 | ChemicalBook |
| ZINC000002381598 | ZINC |
| CB7763465 | ChemicalBook |
| 24247 | Brenda |
| SCHEMBL25788 | SureChEMBL |
| C18511 | KEGG Ligand |
| CHEMBL259728 | ChEMBL |
| 39170 | ChEBI |
| HY-B0820 | MedChemExpress |
| DTXSID8041080 | EPA CompTox Dashboard |
| WIZWEI | CCDC |
| 50486236 | BindingDB |
| NITENPYRAM | rxnorm |
| DB11438 | DrugBank |
| The data in this table is sourced from UniChem at EBI. | |