Dataset

PYRIDOXAL

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P103401_FB57 contains the MS2 mass spectrum of PYRIDOXAL with the InChIkey RADKZDMFGJYCBB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
SMILES	CC1=NC=C(CO)C(C=O)=C1O
InChI Key	RADKZDMFGJYCBB-UHFFFAOYSA-N
Molecular Formula	C8H9NO3
Exact Mass	167.058 g/mol

Data and Resources

PYRIDOXALHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P103401_FB57
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:29:26.717581
MetadataModified	2024-01-11T09:29:26.892024
MetadataPublished	2021-12-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
608	Brenda
HMDB0001545	Human Metabolome Database
17310	Rhea
MTBLC17310	Metabolights
PYRIDOXAL	clinicaltrials
PYRIDOXAL	rxnorm
PYRIDOXAL	DailyMed
50366979	BindingDB
ZINC000000120249	ZINC
4134	DrugCentral
DTXSID4046020	EPA CompTox Dashboard
60020497	NMRShiftDB
PD010202	ProbesDrugs
3THM379K8A	FDA SRS
pydx	Recon
1050	PubChem
PA164749166	PharmGKB
16093615	PubChem: Thomson Pharma
15321824	PubChem: Thomson Pharma
66-72-8	ACToR
SCHEMBL29906	SureChEMBL
MCULE-3872885941	Mcule
J2.361B	Nikkaji
DB00147	DrugBank
C00250	KEGG Ligand
CHEMBL102970	ChEMBL
17310	ChEBI
PXL	PDBe
1012333	eMolecules
The data in this table is sourced from UniChem at EBI.