Roemerine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-NGA00893
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA00893 contains the MS2 mass spectrum of Roemerine with the InChIkey JCTYWRARKVGOBK-CQSZACIVSA-N.
Source: Roemerine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
Chemical Info
| InChI | InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1 |
|---|---|
| SMILES | CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 |
| InChI Key | JCTYWRARKVGOBK-CQSZACIVSA-N |
| Exact Mass | 279.342 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 | a637fd26-229c-4349-b3b1-4cbf16724072 |
| Package id | msbnk-riken_npdepo-nga00893 |
| Resource type | HTML |
| State | active |