Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H18FN5/c1-10(2)22-9-20-14-15(18-8-19-16(14)22)21-11(3)12-4-6-13(17)7-5-12/h4-11H,1-3H3,(H,18,19,21)/t11-/m0/s1
SMILES Fc1ccc(cc1)[C@@H](Nc1ncnc2c1ncn2C(C)C)C
InChI Key LIBVQLXBJTZSCT-NSHDSACASA-N
Molecular Formula C16H18FN5
Exact Mass 299.346 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LIBVQLXBJTZSCT-NSHDSACASA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/LIBVQLXBJTZSCT-NSHDSACASA-N/Mass/EI
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:52:06.634074
MetadataModified 2024-09-07T13:14:14.399281
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73427473 PubChem
The data in this table is sourced from UniChem at EBI.