Dataset

Moroxydine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00485 contains the MS2 mass spectrum of Moroxydine with the InChIkey KJHOZAZQWVKILO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10)
SMILES	C1COCCN1C(=N)N=C(N)N
InChI Key	KJHOZAZQWVKILO-UHFFFAOYSA-N
Molecular Formula	C6H13N5O
Exact Mass	171.112 g/mol

Data and Resources

MoroxydineHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00485
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:24:14.056379
MetadataModified	2024-01-11T22:24:14.240135
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
1884639	eMolecules
CHEMBL1490434	ChEMBL
50227841	BindingDB
137345967	PubChem
CB3347094	ChemicalBook
135742562	PubChem
DB13597	DrugBank
30307237	eMolecules
SCHEMBL19038555	SureChEMBL
94665	ChEBI
ZINC000009302211	ZINC
1844	DrugCentral
DTXSID3048526	EPA CompTox Dashboard
MOROXYDINE	rxnorm
PD013245	ProbesDrugs
O611591WAH	FDA SRS
LSM-5675	LINCS
3731-59-7	ACToR
15147166	PubChem: Thomson Pharma
71655	PubChem
HMDB0254889	Human Metabolome Database
J9.583D	Nikkaji
SCHEMBL246710	SureChEMBL
MCULE-8580824588	Mcule
The data in this table is sourced from UniChem at EBI.