Dataset

3,5,6-Trichloro-2-pyridinol

This MassBank record with Accession MSBNK-Eawag-EA270452 contains the MS2 mass spectrum of 3,5,6-Trichloro-2-pyridinol with the InChIkey WCYYAQFQZQEUEN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)
SMILES	ClC(NC(=O)C=1Cl)=C(Cl)C1
InChI Key	WCYYAQFQZQEUEN-UHFFFAOYSA-N
Molecular Formula	C5H2Cl3NO
Exact Mass	196.920 g/mol

Data and Resources

3,5,6-Trichloro-2-pyridinolHTML
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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA270452
Version
Author
Maintainer
Language
MetadataCreated	2024-01-15T11:58:34.066225
MetadataModified	2024-01-15T11:58:34.334743
MetadataPublished	2014-01-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000002033904	ZINC
CHEMBL3186214	ChEMBL
DTXSID7038317	EPA CompTox Dashboard
143794	ChEBI
CB5743506	ChemicalBook
MTBLC143794	Metabolights
F4Z	PDBe
35682	Brenda
149357	Brenda
HMDB0039853	Human Metabolome Database
MTBLC83490	Metabolights
60022224	NMRShiftDB
SCHEMBL1168410	SureChEMBL
6515-38-4	ACToR
16878255	PubChem: Thomson Pharma
14797462	PubChem: Thomson Pharma
36759534	eMolecules
499210	eMolecules
PD158348	ProbesDrugs
23017	PubChem
233421	Brenda
143794	Rhea
OGEZIJ	CCDC
83490	ChEBI
J39.095J	Nikkaji
HY-W018171	MedChemExpress
JS52YZJ84A	FDA SRS
The data in this table is sourced from UniChem at EBI.