Sertraline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU150001
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU150001 contains the MS2 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 | CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=C1C=CC=C2 |
| 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 803d45c6-a5b5-40cc-9825-63c8ae71b80a |
| Package id | msbnk-athens_univ-au150001 |
| Resource type | HTML |
| State | active |