Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H10INO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)
SMILES Ic1ccc(cc1)NC(=O)c1ccccc1
InChI Key CKKGAPLFCABOSW-UHFFFAOYSA-N
Molecular Formula C13H10INO
Exact Mass 323.129 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CKKGAPLFCABOSW-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/CKKGAPLFCABOSW-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:39:20.555662
MetadataModified 2024-09-07T14:28:11.618646
MetadataPublished 2018-06-19
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2049925 eMolecules
16924304 PubChem: Thomson Pharma
910487 PubChem
SCHEMBL2564907 SureChEMBL
ZINC000000493594 ZINC
J2.884.118C Nikkaji
MCULE-8364602140 Mcule
MolPort-000-396-061 MolPort
The data in this table is sourced from UniChem at EBI.