Dataset
Pyroxsulam; LC-ESI-QTOF; MS2; 40 V
Chemical Information
| InChI | InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22) |
|---|---|
| SMILES | COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC |
| InChI Key | GLBLPMUBLHYFCW-UHFFFAOYSA-N |
| Molecular Formula | C14H13F3N6O5S |
| Exact Mass | 434.062 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111019160 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2023-11-10 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 56468840 | PubChem: Thomson Pharma |
| N9N7LU19AP | FDA SRS |
| SCHEMBL95924 | SureChEMBL |
| 422556-08-9 | ACToR |
| 11571555 | PubChem |
| 209760 | Brenda |
| J2.920.568J | Nikkaji |
| CB71413185 | ChemicalBook |
| DTXSID7044344 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |