Dataset
2,4,5-TP / Silvex (Fenoprop); ESI-QTOF; MS2; CE: 10; [M-H]-
Chemical Information
| InChI | InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14) |
|---|---|
| SMILES | CC(OC1C=C(Cl)C(Cl)=CC=1Cl)C(O)=O |
| InChI Key | ZLSWBLPERHFHIS-UHFFFAOYSA-N |
| Molecular Formula | C9H7Cl3O3 |
| Exact Mass | 267.946 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-AGILENT-AG000042 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2023-02-17 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 15491274 | PubChem: Thomson Pharma |
| 7158 | PubChem |
| 32795-97-4 | ACToR |
| SCHEMBL55790 | SureChEMBL |
| 93-72-1 | ACToR |
| 510289 | eMolecules |
| 20041137 | NMRShiftDB |
| MCULE-1681471418 | Mcule |
| CHEMBL460296 | ChEMBL |
| C14532 | KEGG Ligand |
| J330.861H | Nikkaji |
| DTXSID0021387 | EPA CompTox Dashboard |
| 34758 | ChEBI |
| D2HZL58IS3 | FDA SRS |
| J4.683C | Nikkaji |
| TCPPRA | CCDC |
| HMDB0252208 | Human Metabolome Database |
| CB4455004 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |