Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H |
---|---|
SMILES | c1ccc2c(c1)nccn2 |
InChI Key | XSCHRSMBECNVNS-UHFFFAOYSA-N |
Molecular Formula | C8H6N2 |
Exact Mass | 130.147 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/XSCHRSMBECNVNS-UHFFFAOYSA-N/CHMO0000470.2 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XSCHRSMBECNVNS-UHFFFAOYSA-N/CHMO0000470.2 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:18:45.192376 |
MetadataModified | 2024-09-08T04:18:45.192381 |
MetadataPublished | 2024-07-31 |
Field | Value |
---|---|
Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
36616 | ChEBI |
CHEMBL39444 | ChEMBL |
C18575 | KEGG Ligand |
DTXSID6049432 | EPA CompTox Dashboard |
ZINC000000331700 | ZINC |
HEYJOK | CCDC |
J4.336B | Nikkaji |
HMDB0257053 | Human Metabolome Database |
QM4AR6M6T8 | FDA SRS |
14793764 | PubChem: Thomson Pharma |
91-19-0 | ACToR |
31799-17-4 | ACToR |
10016256 | NMRShiftDB |
CB0737379 | ChemicalBook |
15944 | Brenda |
MCULE-5721421612 | Mcule |
7045 | PubChem |
SCHEMBL1974 | SureChEMBL |
489916 | eMolecules |
The data in this table is sourced from UniChem at EBI. |