Abrine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00823
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00823 contains the MS2 mass spectrum of Abrine with the InChIkey CZCIKBSVHDNIDH-UHFFFAOYSA-N.
Source: Abrine
Chemical Info
| InChI | InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16) |
|---|---|
| SMILES | CNC(CC1=CNC2=CC=CC=C21)C(=O)O |
| InChI Key | CZCIKBSVHDNIDH-UHFFFAOYSA-N |
| Molecular Formula | C12H14N2O2 |
| Exact Mass | 218.106 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 | 2db62691-673d-4608-8766-893491b0ccc4 |
| Package id | msbnk-washington_state_univ-bml00823 |
| Resource type | HTML |
| State | active |