Mesotrione
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU318002
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU318002 contains the MS2 mass spectrum of Mesotrione with the InChIkey KPUREKXXPHOJQT-UHFFFAOYSA-N.
Source: Mesotrione
Chemical Info
| InChI | InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C(=O)C2C(=O)CCCC2=O)C(=C1)[N+]([O-])=O |
| InChI Key | KPUREKXXPHOJQT-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO7S |
| Exact Mass | 339.041 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 6fc85d3e-82b4-4e45-9d80-d666ef485656 |
| Package id | msbnk-athens_univ-au318002 |
| Resource type | HTML |
| State | active |