Cimetidine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001572
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001572 contains the MS mass spectrum of Cimetidine with the InChIkey AQIXAKUUQRKLND-UHFFFAOYSA-N.
Source: Cimetidine
Chemical Info
| InChI | InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC(=NC)NC#N |
| InChI Key | AQIXAKUUQRKLND-UHFFFAOYSA-N |
| Molecular Formula | C10H16N6S |
| Exact Mass | 252.116 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 | f6a7cca2-da5e-4978-906b-a2e56b30b359 |
| Package id | msbnk-waters-wa001572 |
| Resource type | HTML |
| State | active |