Pergolide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00744
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00744 contains the MS2 mass spectrum of Pergolide with the InChIkey YEHCICAEULNIGD-MZMPZRCHSA-N.
Source: Pergolide
Chemical Info
| InChI | InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 |
|---|---|
| SMILES | CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC |
| InChI Key | YEHCICAEULNIGD-MZMPZRCHSA-N |
| Molecular Formula | C19H26N2S |
| Exact Mass | 314.182 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 | f97b7c6d-5244-422c-967e-8a6968cf02e2 |
| Package id | msbnk-washington_state_univ-bml00744 |
| Resource type | HTML |
| State | active |