Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C13H10INO/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,(H,15,16) |
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SMILES | O=C(c1ccccc1)Nc1ccccc1I |
InChI Key | JNLAWMGPPJLSMA-UHFFFAOYSA-N |
Molecular Formula | C13H10INO |
Exact Mass | 323.129 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/JNLAWMGPPJLSMA-UHFFFAOYSA-N/Mass/EI.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JNLAWMGPPJLSMA-UHFFFAOYSA-N/Mass/EI.1 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T21:17:31.023376 |
MetadataModified | 2024-09-07T13:41:24.720533 |
MetadataPublished | 2014-08-05 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
15310-02-8 | ACToR |
31838724 | eMolecules |
KIZRIV | CCDC |
ZINC000001726867 | ZINC |
J1.944.880K | Nikkaji |
SCHEMBL6288808 | SureChEMBL |
285529 | PubChem |
MCULE-2470300891 | Mcule |
The data in this table is sourced from UniChem at EBI. |