Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H15NO2/c18-17(19)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
SMILES [O-][N+](=O)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key AQTVUYPMQTWGJZ-UHFFFAOYSA-N
Molecular Formula C16H15NO2
Exact Mass 253.296 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AQTVUYPMQTWGJZ-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/AQTVUYPMQTWGJZ-UHFFFAOYSA-N/CHMO0000480
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:38:15.439090
MetadataModified 2024-09-08T03:38:15.439096
MetadataPublished 2024-05-21
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4351768 PubChem
ZINC000003122311 ZINC
SCHEMBL6674868 SureChEMBL
16277601 PubChem: Thomson Pharma
JAJXUQ CCDC
The data in this table is sourced from UniChem at EBI.