Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H15NO4S/c1-20-15(17)13-7-9-14(10-8-13)21(18,19)16-11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
SMILES COC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccccc1
InChI Key AZEJTFOFIZYGBU-UHFFFAOYSA-N
Molecular Formula C15H15NO4S
Exact Mass 305.349 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AZEJTFOFIZYGBU-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/AZEJTFOFIZYGBU-UHFFFAOYSA-N/Mass/EI.1
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:18:32.525941
MetadataModified 2024-09-07T13:43:01.218634
MetadataPublished 2014-08-13
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
26526862 PubChem
SCHEMBL119461 SureChEMBL
MCULE-5878488217 Mcule
ZINC000015323381 ZINC
The data in this table is sourced from UniChem at EBI.