Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H13NO/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)16(14)9-11-10-17-11/h1-8,11H,9-10H2
SMILES c1ccc2c(c1)n(CC1CO1)c1c2cccc1
InChI Key VAJIZAPXBKMPRO-UHFFFAOYSA-N
Molecular Formula C15H13NO
Exact Mass 223.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VAJIZAPXBKMPRO-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/VAJIZAPXBKMPRO-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:04:30.213453
MetadataModified 2024-09-07T13:32:45.920940
MetadataPublished 2014-05-27
Related Molecule
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20170573 NMRShiftDB
MCULE-6478357943 Mcule
723926 eMolecules
15093072 PubChem: Thomson Pharma
SCHEMBL409180 SureChEMBL
J228.089B Nikkaji
DTXSID70379573 EPA CompTox Dashboard
2775507 PubChem
The data in this table is sourced from UniChem at EBI.