Dataset
Flusilazole; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
Chemical Information
| InChI | InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3 |
|---|---|
| SMILES | C[Si](CN1C=NC=N1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 |
| InChI Key | FQKUGOMFVDPBIZ-UHFFFAOYSA-N |
| Molecular Formula | C16H15F2N3Si |
| Exact Mass | 315.100 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-UFZ-UF401104 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL1900522 | ChEMBL |
| C18733 | KEGG Ligand |
| 81922 | ChEBI |
| J791.573J | Nikkaji |
| HY-B2012 | MedChemExpress |
| VAVHEF | CCDC |
| DTXSID3024235 | EPA CompTox Dashboard |
| CB8339580 | ChemicalBook |
| 73675 | PubChem |
| 14801188 | PubChem: Thomson Pharma |
| 85509-19-9 | ACToR |
| PD164863 | ProbesDrugs |
| Flusilazole | Atlas |
| F3WG2VVD87 | FDA SRS |
| 510401 | eMolecules |
| 18194 | Brenda |
| HMDB0039815 | Human Metabolome Database |
| ZINC000169876613 | ZINC |
| SCHEMBL21313 | SureChEMBL |
| The data in this table is sourced from UniChem at EBI. | |