Dataset
![molecular Image]()
mass spectrometry (MS)
Chemical Info
| InChI | InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H |
|---|---|
| SMILES | [O-][n+]1ccccc1 |
| InChI Key | ILVXOBCQQYKLDS-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO |
| Exact Mass | 95.099 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/ILVXOBCQQYKLDS-UHFFFAOYSA-N/Mass.1 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/ILVXOBCQQYKLDS-UHFFFAOYSA-N/Mass.1 |
| Version | |
| Author | Hannes Kühner |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T01:02:55.832489 |
| MetadataModified | 2024-09-07T15:02:03.574527 |
| MetadataPublished | 2019-04-25 |
| Field | Value |
|---|---|
| Measurement Technique | mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 1688 | Brenda |
| MTBLC29136 | Metabolights |
| CB6293240 | ChemicalBook |
| 165854 | Brenda |
| 29136 | Rhea |
| SCHEMBL1316 | SureChEMBL |
| 694-59-7 | ACToR |
| 12753 | PubChem |
| 110408-34-9 | ACToR |
| 91F12JJJ4H | FDA SRS |
| 15119673 | PubChem: Thomson Pharma |
| 480599 | eMolecules |
| 9PO | PDBe |
| 29136 | ChEBI |
| CHEMBL3278446 | ChEMBL |
| DTXSID3061007 | EPA CompTox Dashboard |
| ZINC000000967324 | ZINC |
| J35.411B | Nikkaji |
| PYRDNO | CCDC |
| HMDB0256967 | Human Metabolome Database |
| The data in this table is sourced from UniChem at EBI. | |