Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H16N2O3/c13-11(15)7-4-8-14-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,13,15)(H,14,16)
SMILES NC(=O)CCCNC(=O)OCc1ccccc1
InChI Key TZCMRRZQVXPIDW-UHFFFAOYSA-N
Molecular Formula C12H16N2O3
Exact Mass 236.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TZCMRRZQVXPIDW-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/TZCMRRZQVXPIDW-UHFFFAOYSA-N/Mass/EI
Version
Author Carmen Cardenal
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:38:03.278654
MetadataModified 2024-09-07T12:53:24.743563
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12478012 PubChem
SCHEMBL8698925 SureChEMBL
The data in this table is sourced from UniChem at EBI.