Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H12F3N5/c1-2-6-24-10-23-13-14(21-9-22-15(13)24)20-8-11-4-3-5-12(7-11)16(17,18)19/h1,3-5,7,9-10H,6,8H2,(H,20,21,22)
SMILES C#CCn1cnc2c1ncnc2NCc1cccc(c1)C(F)(F)F
InChI Key NHQCACBFNKEOQR-UHFFFAOYSA-N
Molecular Formula C16H12F3N5
Exact Mass 331.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NHQCACBFNKEOQR-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/NHQCACBFNKEOQR-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:39:47.350990
MetadataModified 2024-09-07T12:02:01.699820
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73427277 PubChem
The data in this table is sourced from UniChem at EBI.