Gardneramine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300135
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300135 contains the MS2 mass spectrum of Gardneramine with the InChIkey RIMDDIPKIZTBHU-KPDHXFAYSA-N.
Source: Gardneramine
Chemical Info
| InChI | InChI=1S/C23H28N2O5/c1-26-6-5-12-10-25-15-9-23-18(25)7-13(12)14(15)11-30-22(23)24-20-16(27-2)8-17(28-3)21(29-4)19(20)23/h5,8,13-15,18H,6-7,9-11H2,1-4H3/b12-5+/t13-,14+,15+,18?,23?/m1/s1 |
|---|---|
| SMILES | COC\C=C1/CN2[C@H]3CC45C2C[C@H]1[C@@H]3COC4=NC1=C5C(OC)=C(OC)C=C1OC |
| InChI Key | RIMDDIPKIZTBHU-KPDHXFAYSA-N |
| Molecular Formula | C23H28N2O5 |
| Exact Mass | 412.486 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 3d41f2e8-351e-4276-bc63-57d13cf8fed6 |
| Package id | msbnk-riken-pr300135 |
| Resource type | HTML |
| State | active |