Dataset
![molecular Image]()
atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
| InChI | InChI=1S/C15H13NO2/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9,14,17H,1H3 |
|---|---|
| SMILES | Cc1ccc(cc1)N1C(O)c2c(C1=O)cccc2 |
| InChI Key | UWHQATUHQVAVJT-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO2 |
| Exact Mass | 239.269 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/UWHQATUHQVAVJT-UHFFFAOYSA-N/CHMO0000473 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/UWHQATUHQVAVJT-UHFFFAOYSA-N/CHMO0000473 |
| Version | |
| Author | Harald Kelm |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T00:59:48.741112 |
| MetadataModified | 2024-09-08T00:59:48.741118 |
| MetadataPublished | 2023-05-22 |
| Field | Value |
|---|---|
| Measurement Technique | atmospheric pressure chemical ionisation mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| J2.206.821K | Nikkaji |
| 5671333 | eMolecules |
| 81046164 | PubChem: Thomson Pharma |
| 14815075 | PubChem |
| MCULE-8331648406 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |