Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H10O2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H
SMILES O=c1oc2ccccc2cc1c1ccccc1
InChI Key HWDSXZLYIKESML-UHFFFAOYSA-N
Molecular Formula C15H10O2
Exact Mass 222.239 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HWDSXZLYIKESML-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/HWDSXZLYIKESML-UHFFFAOYSA-N/Mass/EI
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:03:24.763016
MetadataModified 2024-09-07T13:31:06.085394
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14969745 PubChem: Thomson Pharma
SCHEMBL177366 SureChEMBL
955-10-2 ACToR
70385 PubChem
J80.041D Nikkaji
MCULE-1345261046 Mcule
ZINC000000057995 ZINC
QECNUJ CCDC
DTXSID50241860 EPA CompTox Dashboard
WV24YNY4AU FDA SRS
96220 BindingDB
71460 Brenda
CHEMBL510349 ChEMBL
730085 eMolecules
The data in this table is sourced from UniChem at EBI.