Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C23H25NO6/c1-2-28-21(25)23(27)12-6-10-18-17(23)14-19(20-11-7-13-29-20)24(18)22(26)30-15-16-8-4-3-5-9-16/h3-11,13,17-19,27H,2,12,14-15H2,1H3/t17-,18-,19-,23?/m0/s1
SMILES CCOC(=O)C1(O)CC=C[C@H]2[C@@H]1C[C@H](N2C(=O)OCc1ccccc1)c1ccco1
InChI Key BSSSUBNNKWOSSG-BBGGMCIKSA-N
Molecular Formula C23H25NO6
Exact Mass 411.448 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BSSSUBNNKWOSSG-BBGGMCIKSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/BSSSUBNNKWOSSG-BBGGMCIKSA-N/Mass/EI
Version
Author Paul Sauter
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:59:08.719939
MetadataModified 2024-09-07T13:24:49.942160
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73427496 PubChem
The data in this table is sourced from UniChem at EBI.