Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C19H18O3/c1-3-13-21-17-9-5-15(6-10-17)19(20)16-7-11-18(12-8-16)22-14-4-2/h3-12H,1-2,13-14H2
SMILES C=CCOc1ccc(cc1)C(=O)c1ccc(cc1)OCC=C
InChI Key VWIAUZQWMLBMKP-UHFFFAOYSA-N
Molecular Formula C19H18O3
Exact Mass 294.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VWIAUZQWMLBMKP-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/VWIAUZQWMLBMKP-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:55:46.854100
MetadataModified 2024-09-07T13:19:46.962869
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL826744 SureChEMBL
J2.903.517B Nikkaji
18413467 PubChem
ZINC000114663731 ZINC
103022409 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.