MCPB
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00271001
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ00271001 contains the MS2 mass spectrum of MCPB with the InChIkey LLWADFLAOKUBDR-UHFFFAOYSA-N.
Source: MCPB
Chemical Info
| InChI | InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14) |
|---|---|
| SMILES | CC1=C(OCCCC(O)=O)C=CC(Cl)=C1 |
| InChI Key | LLWADFLAOKUBDR-UHFFFAOYSA-N |
| Molecular Formula | C11H13ClO3 |
| Exact Mass | 228.055 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | bdecd522-8b54-4444-8466-fccc2f495cbd |
| Package id | msbnk-eawag-eq00271001 |
| Resource type | HTML |
| State | active |