Dataset
![molecular Image]()
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11) |
|---|---|
| SMILES | O=c1cnc2c([nH]1)cccc2 |
| InChI Key | FFRYUAVNPBUEIC-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O |
| Exact Mass | 146.146 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/FFRYUAVNPBUEIC-UHFFFAOYSA-N/CHMO0000470.3 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/FFRYUAVNPBUEIC-UHFFFAOYSA-N/CHMO0000470.3 |
| Version | |
| Author | Victor Larignon |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T04:29:31.169051 |
| MetadataModified | 2024-09-07T19:42:20.432558 |
| MetadataPublished | 2021-05-13 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 14526 | PubChem |
| 20050525 | NMRShiftDB |
| MCULE-4185757989 | Mcule |
| CB1135747 | ChemicalBook |
| MTBLC38890 | Metabolights |
| 43192 | Brenda |
| 135345 | Brenda |
| 1972459 | eMolecules |
| 26721587 | PubChem: Thomson Pharma |
| SCHEMBL37862 | SureChEMBL |
| 15170845 | PubChem: Thomson Pharma |
| 38890 | ChEBI |
| 492810 | eMolecules |
| HQOXAL | CCDC |
| HMDB0245168 | Human Metabolome Database |
| DTXSID6061604 | EPA CompTox Dashboard |
| ZINC000008614494 | ZINC |
| J54.923A | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |