Dataset
mass spectrometry (MS)
Chemical Info
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. |