Bromocriptine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001785
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001785 contains the MS mass spectrum of Bromocriptine with the InChIkey OZVBMTJYIDMWIL-AYFBDAFISA-N.
Source: Bromocriptine
Chemical Info
| InChI | InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O |
| InChI Key | OZVBMTJYIDMWIL-AYFBDAFISA-N |
| Molecular Formula | C32H40BrN5O5 |
| Exact Mass | 653.221 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 4.0 International (CC BY-NC 4.0) |
| Id | 43ff2a4b-c495-448a-bb3c-488414c1dbc1 |
| Package id | msbnk-waters-wa001785 |
| Resource type | HTML |
| State | active |