Dataset
Trifloxystrobin; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
Chemical Information
| InChI | InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18- |
|---|---|
| SMILES | c1(C(F)(F)F)cc(ccc1)\C(=N\OCc1c(cccc1)\C(C(=O)OC)=N\OC)C |
| InChI Key | ONCZDRURRATYFI-QTCHDTBASA-N |
| Molecular Formula | C20H19F3N2O4 |
| Exact Mass | 408.130 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-Eawag-EQ318105 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2015-08-25 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL3637899 | chembl |
| 2321633 | surechembl |
| 29363702 | surechembl |
| 9578570 | pubchem |
| F625Z36B2D | fdasrs |
| PD061230 | probes_and_drugs |
| FOHROK | CCDC |
| Molport-052-014-969 | molport |
| The data in this table is sourced from UniChem at EBI. | |