Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H16F3N5/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-3-5-12(6-4-11)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)
SMILES CC(n1cnc2c1ncnc2NCc1ccc(cc1)C(F)(F)F)C
InChI Key ZMCDNTWMTVMOAV-UHFFFAOYSA-N
Molecular Formula C16H16F3N5
Exact Mass 335.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZMCDNTWMTVMOAV-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/ZMCDNTWMTVMOAV-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:39:42.856920
MetadataModified 2024-09-07T12:01:51.377103
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73427276 PubChem
The data in this table is sourced from UniChem at EBI.