Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H10INO/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,(H,15,16)
SMILES O=C(c1ccccc1)Nc1ccccc1I
InChI Key JNLAWMGPPJLSMA-UHFFFAOYSA-N
Molecular Formula C13H10INO
Exact Mass 323.129 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JNLAWMGPPJLSMA-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/JNLAWMGPPJLSMA-UHFFFAOYSA-N/Mass/EI.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:17:31.023376
MetadataModified 2024-09-07T13:41:24.720533
MetadataPublished 2014-08-05
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15310-02-8 ACToR
31838724 eMolecules
KIZRIV CCDC
ZINC000001726867 ZINC
J1.944.880K Nikkaji
SCHEMBL6288808 SureChEMBL
285529 PubChem
MCULE-2470300891 Mcule
The data in this table is sourced from UniChem at EBI.