omeprazole_BTP_M2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000902
Dataset description:
This MassBank record with Accession MSBNK-UoB-XB000902 contains the MS2 mass spectrum of omeprazole_BTP_M2 with the InChIkey CMZHQFXXAAIBKE-UHFFFAOYSA-N.
Source: omeprazole_BTP_M2
Chemical Info
| InChI | InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20) |
|---|---|
| SMILES | CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)CO)OC |
| InChI Key | CMZHQFXXAAIBKE-UHFFFAOYSA-N |
| Molecular Formula | C17H19N3O4S |
| Exact Mass | 361.110 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 4.0 International (CC BY 4.0) |
| Id | 0aed0059-77c5-4bbe-970c-5c952862df90 |
| Package id | msbnk-uob-xb000902 |
| Resource type | HTML |
| State | active |