Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H16ClNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)
SMILES O=C(C1CCCCC1)Nc1ccc(cc1)Cl
InChI Key RVJKIPFPMXENNO-UHFFFAOYSA-N
Molecular Formula C13H16ClNO
Exact Mass 237.725 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RVJKIPFPMXENNO-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/RVJKIPFPMXENNO-UHFFFAOYSA-N/Mass/EI.1
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:30:07.311005
MetadataModified 2024-09-07T14:01:44.704497
MetadataPublished 2015-05-12
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2131562 eMolecules
14970535 PubChem: Thomson Pharma
MCULE-7093429962 Mcule
849010 PubChem
CB1950391 ChemicalBook
ZINC000000383453 ZINC
DTXSID60357269 EPA CompTox Dashboard
J3.556.903K Nikkaji
The data in this table is sourced from UniChem at EBI.