Captopril
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001953
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001953 contains the MS mass spectrum of Captopril with the InChIkey FAKRSMQSSFJEIM-RQJHMYQMSA-N.
Source: Captopril
Chemical Info
| InChI | InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 |
|---|---|
| SMILES | SCC(C)C(=O)N(C1)C(CC1)C(O)=O |
| InChI Key | FAKRSMQSSFJEIM-RQJHMYQMSA-N |
| Molecular Formula | C9H15NO3S |
| Exact Mass | 217.077 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 | 2bd56931-0501-4a11-a8e6-ed972cea430b |
| Package id | msbnk-waters-wa001953 |
| Resource type | HTML |
| State | active |