Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C20H20N2O2/c23-15(12-21-13-16-6-5-11-24-16)14-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-11,15,21,23H,12-14H2
SMILES OC(Cn1c2ccccc2c2c1cccc2)CNCc1ccco1
InChI Key PWDXMUGOYSJNDS-UHFFFAOYSA-N
Molecular Formula C20H20N2O2
Exact Mass 320.385 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PWDXMUGOYSJNDS-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/PWDXMUGOYSJNDS-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:04:27.805207
MetadataModified 2024-09-07T13:32:40.953918
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1056392 eMolecules
CHEMBL1342330 ChEMBL
MCULE-7731455720 Mcule
SCHEMBL15380477 SureChEMBL
652652 PubChem
The data in this table is sourced from UniChem at EBI.