Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H15N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+
SMILES CC(/N=C/c1ccccc1)(C)C
InChI Key KFLSWDVYGSSZRX-FMIVXFBMSA-N
Molecular Formula C11H15N
Exact Mass 161.243 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KFLSWDVYGSSZRX-FMIVXFBMSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/KFLSWDVYGSSZRX-FMIVXFBMSA-N/Mass/EI.1
Version
Author Sebastian Tussing
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:25:04.420992
MetadataModified 2024-09-07T13:52:57.615065
MetadataPublished 2014-09-25
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6852-58-0 ACToR
15147009 PubChem: Thomson Pharma
SCHEMBL4024136 SureChEMBL
J1.553.919D Nikkaji
J123.416A Nikkaji
ZINC000002584485 ZINC
165741 Brenda
512046 eMolecules
The data in this table is sourced from UniChem at EBI.