Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
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
Data-Source Molecule ID Data-Source
SCHEMBL1492184 SureChEMBL
J3.200.856I Nikkaji
89123739 PubChem
The data in this table is sourced from UniChem at EBI.