Dataset

Hycanthone

This MassBank record with Accession MSBNK-Fiocruz-FIO00352 contains the MS2 mass spectrum of Hycanthone with the InChIkey MFZWMTSUNYWVBU-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3
SMILES	CCN(CC)CCN([H])c(c1)c(C(=O)2)c(Sc(c3)c(ccc3)2)c(CO)c1
InChI Key	MFZWMTSUNYWVBU-UHFFFAOYSA-N
Molecular Formula	C20H24N2O2S
Exact Mass	356.156 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00352
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:41:33.080333
MetadataModified	2024-01-11T16:41:33.272809
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL22077	ChEMBL
52768	ChEBI
33507342	eMolecules
3105-97-3	ACToR
PD001031	ProbesDrugs
3634	PubChem
2BXX5EVN2A	FDA SRS
LSM-5614	LINCS
15052008	PubChem: Thomson Pharma
SCHEMBL314809	SureChEMBL
HMDB0253234	Human Metabolome Database
J2.172E	Nikkaji
ZINC000003830916	ZINC
115819	Brenda
DB14061	DrugBank
1383	DrugCentral
50066721	BindingDB
DTXSID9023128	EPA CompTox Dashboard
CB9181533	ChemicalBook
HY-B1099	MedChemExpress
QHM	PDBe
The data in this table is sourced from UniChem at EBI.