Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H13NO5/c1-21-15(18)11-5-3-10(4-6-11)13-8-7-12(16(19)22-2)9-14(13)17-20/h3-9H,1-2H3
SMILES COC(=O)c1ccc(cc1)c1ccc(cc1N=O)C(=O)OC
InChI Key CSHSZEDKQYNPIZ-UHFFFAOYSA-N
Molecular Formula C16H13NO5
Exact Mass 299.278 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CSHSZEDKQYNPIZ-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/CSHSZEDKQYNPIZ-UHFFFAOYSA-N/Mass/EI.1
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:30:50.615615
MetadataModified 2024-09-07T14:02:35.221616
MetadataPublished 2015-05-15
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91757969 PubChem
The data in this table is sourced from UniChem at EBI.