Dataset

Bromocriptine

This MassBank record with Accession MSBNK-Waters-WA001785 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

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001785
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:36:48.860907
MetadataModified 2025-02-09T20:22:11.648561
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB6136426 ChemicalBook
MTBLC3181 Metabolights
ZINC000053683151 ZINC
147619 Brenda
147312 Brenda
bromocriptine DailyMed
SCHEMBL25297 SureChEMBL
1933648 eMolecules
36518002 eMolecules
25614-03-3 ACToR
LSM-6550 LINCS
3A64E3G5ZO FDA SRS
08Y PDBe
PD009743 ProbesDrugs
60027642 NMRShiftDB
31101 PubChem
14765835 PubChem: Thomson Pharma
14765834 PubChem: Thomson Pharma
PA448671 PharmGKB
3181 ChEBI
DB01200 DrugBank
C06856 KEGG Ligand
CHEMBL493 ChEMBL
BROMOCRIPTINE DailyMed
81993 BindingDB
BROMOCRIPTINE rxnorm
BROMOCRIPTINE MESYLATE rxnorm
PARLODEL rxnorm
BROMOCRIPTINE clinicaltrials
BROMOCRIPTINE MESILATE clinicaltrials
BROMOCRIPTINE MESYLATE clinicaltrials
PARLODEL clinicaltrials
CYCLOSET clinicaltrials
CB-154 clinicaltrials
DTXSID1022687 EPA CompTox Dashboard
403 DrugCentral
35 Guide to Pharmacology
J16.988I Nikkaji
CYCLOSET rxnorm
HMDB0015331 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.