Cotinine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00575
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00575 contains the MS2 mass spectrum of Cotinine with the InChIkey UIKROCXWUNQSPJ-UHFFFAOYSA-N.
Source: Cotinine
Chemical Info
| InChI | InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3 |
|---|---|
| SMILES | CN1C(CCC1=O)C2=CN=CC=C2 |
| InChI Key | UIKROCXWUNQSPJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O |
| Exact Mass | 176.095 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 | 61102d3b-02af-4fb3-867e-b32fc4301765 |
| Package id | msbnk-washington_state_univ-bml00575 |
| Resource type | HTML |
| State | active |