Aspidocarpine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00082
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00082 contains the MS2 mass spectrum of Aspidocarpine with the InChIkey CITPXCNSMZMNIW-UHFFFAOYSA-N.
Source: Aspidocarpine
Chemical Info
| InChI | InChI=1S/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3 |
|---|---|
| SMILES | CCC12CCCN3C1C4(CC3)C(CC2)N(C5=C4C=CC(=C5O)OC)C(=O)C |
| InChI Key | CITPXCNSMZMNIW-UHFFFAOYSA-N |
| Molecular Formula | C22H30N2O3 |
| Exact Mass | 370.226 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 | 9fc77fb5-ba81-4c8b-9492-a50e42ea02b9 |
| Package id | msbnk-washington_state_univ-bml00082 |
| Resource type | HTML |
| State | active |