Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C8H5N3O4/c9-11-10-6-3-4(7(12)13)1-2-5(6)8(14)15/h1-3H,(H,12,13)(H,14,15) |
---|---|
SMILES | N#[N+][N-]c1cc(ccc1C(=O)O)C(=O)O |
InChI Key | IUGMVBUDECYPGB-UHFFFAOYSA-N |
Molecular Formula | C8H5N3O4 |
Exact Mass | 207.143 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/IUGMVBUDECYPGB-UHFFFAOYSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/IUGMVBUDECYPGB-UHFFFAOYSA-N/Mass/EI |
Version | |
Author | Sylvain Grosjean |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:42:02.146357 |
MetadataModified | 2024-09-07T12:05:31.771907 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |