Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H8INO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
SMILES CC(=O)Nc1ccccc1I
InChI Key BCJOKHQYEDXBSF-UHFFFAOYSA-N
Molecular Formula C8H8INO
Exact Mass 261.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BCJOKHQYEDXBSF-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/BCJOKHQYEDXBSF-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:42:36.176291
MetadataModified 2024-09-07T14:33:02.491641
MetadataPublished 2018-09-10
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000002575284 ZINC
J323.511D Nikkaji
XODJIL CCDC
MCULE-1719235357 Mcule
DTXSID30173251 EPA CompTox Dashboard
140559 PubChem
5123234 eMolecules
SCHEMBL74521 SureChEMBL
19591-17-4 ACToR
16145554 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.