Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H15NO/c1-8(2)12-11(13)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,12,13)
SMILES CC(NC(=O)c1ccccc1C)C
InChI Key QEMAILGKGBKPKQ-UHFFFAOYSA-N
Molecular Formula C11H15NO
Exact Mass 177.243 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QEMAILGKGBKPKQ-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/QEMAILGKGBKPKQ-UHFFFAOYSA-N/Mass/EI.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:27:42.884218
MetadataModified 2024-09-07T13:57:35.257855
MetadataPublished 2015-05-06
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
850972 PubChem
MCULE-2293116536 Mcule
5362607 eMolecules
SCHEMBL394511 SureChEMBL
ZINC000000385665 ZINC
The data in this table is sourced from UniChem at EBI.