Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H8INO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
SMILES CC(=O)Nc1ccc(cc1)I
InChI Key SIULLDWIXYYVCU-UHFFFAOYSA-N
Molecular Formula C8H8INO
Exact Mass 261.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SIULLDWIXYYVCU-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/SIULLDWIXYYVCU-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:39:41.460141
MetadataModified 2024-09-07T14:28:43.377356
MetadataPublished 2018-06-20
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
111296 Brenda
CB8224523 ChemicalBook
145748 Brenda
126687 Brenda
12147 PubChem
DTXSID7060752 EPA CompTox Dashboard
MCULE-2439343180 Mcule
J55.337I Nikkaji
KOFDAM CCDC
ZINC000000078961 ZINC
15716186 PubChem: Thomson Pharma
SCHEMBL669782 SureChEMBL
622-50-4 ACToR
975386 eMolecules
The data in this table is sourced from UniChem at EBI.