Dataset

electrospray ionisation mass spectrometry (ESMS)

dataset for electrospray ionisation mass spectrometry (ESMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H4F3N5/c10-9(11,12)7-8-14-15-16-17(8)6-4-2-1-3-5(6)13-7/h1-4H
SMILES FC(c1nc2ccccc2n2c1nnn2)(F)F
InChI Key ALUDOBBDYFOFJP-UHFFFAOYSA-N
Molecular Formula C9H4F3N5
Exact Mass 239.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ALUDOBBDYFOFJP-UHFFFAOYSA-N/CHMO0000482
License URL
Source https://www.chemotion-repository.net/inchikey/ALUDOBBDYFOFJP-UHFFFAOYSA-N/CHMO0000482
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:11:22.175632
MetadataModified 2024-09-07T21:52:08.027461
MetadataPublished 2022-02-11
Field Value
Measurement Technique electrospray ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
162623379 PubChem
The data in this table is sourced from UniChem at EBI.