Dataset

Bromocriptine

This MassBank record with Accession MSBNK-Waters-WA001784 contains the MS mass spectrum of Bromocriptine with the InChIkey OZVBMTJYIDMWIL-AYFBDAFISA-N.

Chemical Info

molecular Image
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

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001784
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MetadataCreated 2024-01-11T22:48:45.698810
MetadataModified 2025-02-09T20:26:45.077896
MetadataPublished 2016-01-19
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