Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H8INO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
SMILES CC(=O)Nc1cccc(c1)I
InChI Key AMUUVYMMGLMBIW-UHFFFAOYSA-N
Molecular Formula C8H8INO
Exact Mass 261.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AMUUVYMMGLMBIW-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/AMUUVYMMGLMBIW-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:40:12.898647
MetadataModified 2024-09-07T14:29:29.718921
MetadataPublished 2018-06-20
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID20172819 EPA CompTox Dashboard
ZINC000002568103 ZINC
16799013 PubChem: Thomson Pharma
19230-45-6 ACToR
A872BMD83C FDA SRS
SCHEMBL3709896 SureChEMBL
31835990 eMolecules
J242.745A Nikkaji
XONLET CCDC
MCULE-5402592699 Mcule
87971 PubChem
The data in this table is sourced from UniChem at EBI.