Dataset

Terbutryn

This MassBank record with Accession MSBNK-Athens_Univ-AU286301 contains the MS2 mass spectrum of Terbutryn with the InChIkey IROINLKCQGIITA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
SMILES	CCNC1=NC(NC(C)(C)C)=NC(SC)=N1
InChI Key	IROINLKCQGIITA-UHFFFAOYSA-N
Molecular Formula	C10H19N5S
Exact Mass	241.136 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU286301
Version
Author
Maintainer
Language
MetadataCreated	2024-01-15T11:58:23.521220
MetadataModified	2024-01-15T11:58:23.872159
MetadataPublished	2019-05-31

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HY-B1991	MedChemExpress
DTXSID3024318	EPA CompTox Dashboard
ZINC000002008092	ZINC
SCHEMBL20893401	SureChEMBL
CB9412718	ChemicalBook
44156	ChEBI
MCULE-7277402178	Mcule
13450	PubChem
HMDB0258830	Human Metabolome Database
J9.469B	Nikkaji
PD004636	ProbesDrugs
ZXL474TLFP	FDA SRS
14847478	PubChem: Thomson Pharma
SCHEMBL65395	SureChEMBL
886-50-0	ACToR
C18811	KEGG Ligand
DB08215	DrugBank
CHEMBL1234490	ChEMBL
MST	PDBe
510251	eMolecules
The data in this table is sourced from UniChem at EBI.