MCPB
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000175
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000175 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 | OC(=O)CCCOc(c1)c(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 | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | f5055a00-427d-4efc-aa5f-fa8f7eb944b6 |
| Package id | msbnk-waters-wa000175 |
| Resource type | HTML |
| State | active |