Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C10H12BrNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)
SMILES CC(NC(=O)c1ccccc1Br)C
InChI Key MTAGIJZTHYEKKP-UHFFFAOYSA-N
Molecular Formula C10H12BrNO
Exact Mass 242.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MTAGIJZTHYEKKP-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/MTAGIJZTHYEKKP-UHFFFAOYSA-N/Mass/EI.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:28:36.289926
MetadataModified 2024-09-07T13:59:05.417298
MetadataPublished 2015-05-11
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL13761364 SureChEMBL
2057512 PubChem
MCULE-2067667960 Mcule
DTXSID10366083 EPA CompTox Dashboard
2014416 eMolecules
ZINC000002493713 ZINC
The data in this table is sourced from UniChem at EBI.