Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H14F3NO3/c1-12(2,3)20-11(19)17-9-6-4-8(5-7-9)10(18)13(14,15)16/h4-7H,1-3H3,(H,17,19)
SMILES O=C(OC(C)(C)C)Nc1ccc(cc1)C(=O)C(F)(F)F
InChI Key CYTSLQKMHLJSBB-UHFFFAOYSA-N
Molecular Formula C13H14F3NO3
Exact Mass 289.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CYTSLQKMHLJSBB-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/CYTSLQKMHLJSBB-UHFFFAOYSA-N/Mass/EI
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:27:54.351590
MetadataModified 2024-09-07T12:38:14.172611
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73427421 PubChem
The data in this table is sourced from UniChem at EBI.