Metolachlor-ESA
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU206003
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU206003 contains the MS2 mass spectrum of Metolachlor-ESA with the InChIkey CIGKZVUEZXGYSV-UHFFFAOYSA-N.
Source: Metolachlor-ESA
Chemical Info
| InChI | InChI=1S/C15H23NO5S/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20) |
|---|---|
| SMILES | CCC1=CC=CC(C)=C1N(C(C)COC)C(=O)CS(O)(=O)=O |
| InChI Key | CIGKZVUEZXGYSV-UHFFFAOYSA-N |
| Molecular Formula | C15H23NO5S |
| Exact Mass | 329.130 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 | 86b154cf-7f1a-4428-baa2-e54192c7ab86 |
| Package id | msbnk-athens_univ-au206003 |
| Resource type | HTML |
| State | active |