Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C28H21NO3/c30-27-21-13-7-8-14-22(21)28(31)26-24(32-18-20-11-5-2-6-12-20)16-15-23(25(26)27)29-17-19-9-3-1-4-10-19/h1-16,29H,17-18H2
SMILES O=C1c2c(OCc3ccccc3)ccc(c2C(=O)c2c1cccc2)NCc1ccccc1
InChI Key GQQCMSAXSHZGDN-UHFFFAOYSA-N
Molecular Formula C28H21NO3
Exact Mass 419.471 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GQQCMSAXSHZGDN-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/GQQCMSAXSHZGDN-UHFFFAOYSA-N/Mass/EI.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:25:53.930848
MetadataModified 2024-09-07T13:54:53.814070
MetadataPublished 2014-09-26
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
78210307 PubChem
The data in this table is sourced from UniChem at EBI.