Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
SMILES N(Cc1ccccc1)Cc1ccccc1
InChI Key BWLUMTFWVZZZND-UHFFFAOYSA-N
Molecular Formula C14H15N
Exact Mass 197.276 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BWLUMTFWVZZZND-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/BWLUMTFWVZZZND-UHFFFAOYSA-N/Mass/EI.1
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:19:44.469751
MetadataModified 2024-09-07T14:13:29.566556
MetadataPublished 2016-04-26
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
7656 PubChem
MCULE-8716946307 Mcule
498877 eMolecules
189125 ChEBI
15322393 PubChem: Thomson Pharma
3G0YFX01C6 FDA SRS
103-49-1 ACToR
CB5185977 ChemicalBook
ZINC000001504123 ZINC
44037 Brenda
DTXSID6044355 EPA CompTox Dashboard
93170 Brenda
J37.741D Nikkaji
HMDB0251169 Human Metabolome Database
10005795 NMRShiftDB
GOFKIV CCDC
SCHEMBL1654 SureChEMBL
CHEMBL3182419 ChEMBL
The data in this table is sourced from UniChem at EBI.