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

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001784
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:45.698810
MetadataModified 2024-01-11T22:48:45.851334
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000053683151 ZINC
147619 Brenda
CB6136426 ChemicalBook
bromocriptine DailyMed
147312 Brenda
HMDB0015331 Human Metabolome Database
MTBLC3181 Metabolights
403 DrugCentral
81993 BindingDB
DTXSID1022687 EPA CompTox Dashboard
CB-154 clinicaltrials
BROMOCRIPTINE MESYLATE clinicaltrials
BROMOCRIPTINE MESILATE clinicaltrials
BROMOCRIPTINE clinicaltrials
CYCLOSET clinicaltrials
PARLODEL clinicaltrials
BROMOCRIPTINE MESYLATE rxnorm
CYCLOSET rxnorm
PARLODEL rxnorm
BROMOCRIPTINE rxnorm
BROMOCRIPTINE DailyMed
60027642 NMRShiftDB
PD009743 ProbesDrugs
08Y PDBe
3A64E3G5ZO FDA SRS
LSM-6550 LINCS
25614-03-3 ACToR
PA448671 PharmGKB
14765834 PubChem: Thomson Pharma
14765835 PubChem: Thomson Pharma
31101 PubChem
35 Guide to Pharmacology
SCHEMBL25297 SureChEMBL
J16.988I Nikkaji
1933648 eMolecules
36518002 eMolecules
3181 ChEBI
DB01200 DrugBank
C06856 KEGG Ligand
CHEMBL493 ChEMBL
The data in this table is sourced from UniChem at EBI.