Sertraline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000291
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000291 contains the MS mass spectrum of Sertraline with the InChIkey VGKDLMBJGBXTGI-SJCJKPOMSA-N.
Source: Sertraline
Chemical Info
| InChI | InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 |
|---|---|
| SMILES | CNC(C2)c(c3)c(ccc3)C(C2)c(c1)cc(Cl)c(Cl)c1 |
| InChI Key | VGKDLMBJGBXTGI-SJCJKPOMSA-N |
| Molecular Formula | C17H17Cl2N |
| Exact Mass | 305.074 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 | 5825d072-34b9-46fe-a8a0-02b2a0eb6b5d |
| Package id | msbnk-waters-wa000291 |
| Resource type | HTML |
| State | active |