Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H12INO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13)
SMILES CC(NC(=O)c1ccc(cc1)I)C
InChI Key DRCCJCULDBSFBM-UHFFFAOYSA-N
Molecular Formula C10H12INO
Exact Mass 289.113 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DRCCJCULDBSFBM-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/DRCCJCULDBSFBM-UHFFFAOYSA-N/Mass/EI.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:28:47.528961
MetadataModified 2024-09-07T13:58:51.084073
MetadataPublished 2015-05-11
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J2.344.015F Nikkaji
MCULE-5240686331 Mcule
ZINC000000341478 ZINC
SCHEMBL19296965 SureChEMBL
823487 PubChem
2132364 eMolecules
The data in this table is sourced from UniChem at EBI.