Ajmaline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-NGA03681
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA03681 contains the MS2 mass spectrum of Ajmaline with the InChIkey CJDRUOGAGYHKKD-GHVJXGQCSA-N.
Source: Ajmaline; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
Chemical Info
| InChI | InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11?,14?,15-,16?,17?,18?,19+,20+/m0/s1 |
|---|---|
| SMILES | CC[C@H]1C2CC3C4N(C)c5ccccc5[C@]45C[C@@H](C2C5O)N3[C@@H]1O |
| InChI Key | CJDRUOGAGYHKKD-GHVJXGQCSA-N |
| Exact Mass | 326.442 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 4.0 International (CC BY 4.0) |
| Id | 6ee93c21-4630-4549-b7f2-df23457ed2d2 |
| Package id | msbnk-riken_npdepo-nga03681 |
| Resource type | HTML |
| State | active |