Dataset
Quinoxaline; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
Chemical Information
| InChI | InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H |
|---|---|
| SMILES | C1=CC=C2N=CC=NC2=C1 |
| InChI Key | XSCHRSMBECNVNS-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2 |
| Exact Mass | 130.053 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2016-SM808501 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2016-12-12 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEBI:36616 | chebi |
| CHEMBL39444 | chembl |
| 29355228 | surechembl |
| 30320908 | surechembl |
| 451431 | surechembl |
| 5315 | surechembl |
| 7045 | pubchem |
| QM4AR6M6T8 | fdasrs |
| HEYJOK | CCDC |
| 15944 | brenda |
| HMDB0257053 | hmdb |
| Molport-001-759-998 | molport |
| The data in this table is sourced from UniChem at EBI. | |