Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C9H7NO2/c1-6-9(11)12-8-5-3-2-4-7(8)10-6/h2-5H,1H3 |
---|---|
SMILES | O=c1oc2ccccc2nc1C |
InChI Key | PEEMVDRTQBESEN-UHFFFAOYSA-N |
Molecular Formula | C9H7NO2 |
Exact Mass | 161.157 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/PEEMVDRTQBESEN-UHFFFAOYSA-N/Mass/EI.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/PEEMVDRTQBESEN-UHFFFAOYSA-N/Mass/EI.1 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T21:34:34.035288 |
MetadataModified | 2024-09-07T14:08:12.420041 |
MetadataPublished | 2015-10-30 |
Related Molecule |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DTXSID20227338 | EPA CompTox Dashboard |
J67.851A | Nikkaji |
SCHEMBL17536884 | SureChEMBL |
CHEMBL1552794 | ChEMBL |
7653-60-3 | ACToR |
24302 | PubChem |
The data in this table is sourced from UniChem at EBI. |