Dataset

Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS033207 contains the MS2 mass spectrum of Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine with the InChIkey LXNHXLLTXMVWPM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
SMILES CC1=NC=C(C(=C1O)CO)CO
InChI Key LXNHXLLTXMVWPM-UHFFFAOYSA-N
Molecular Formula C8H11NO3
Exact Mass 169.180 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS033207
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:10:09.307325
MetadataModified 2025-02-09T19:06:15.367880
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB8197940 ChemicalBook
pyridoxine DailyMed
16709 Rhea
HMDB0000239 Human Metabolome Database
104948 Brenda
103564 Brenda
20816 Brenda
1051 Brenda
MCULE-7725975962 Mcule
10018151 NMRShiftDB
UEG PDBe
LSM-5324 LINCS
1054 PubChem
KV2JZ1BI6Z FDA SRS
15171158 PubChem: Thomson Pharma
pydxn Recon
SCHEMBL3506 SureChEMBL
PA451897 PharmGKB
PD010192 ProbesDrugs
65-23-6 ACToR
593675 eMolecules
CHEMBL1364 ChEMBL
C00314 KEGG Ligand
DB00165 DrugBank
16709 ChEBI
PYRIDOXINE DailyMed
BITZAF CCDC
PYRIDOXINE HYDROCHLORIDE rxnorm
PYRIDOXINE rxnorm
HEXA-BETALIN clinicaltrials
PYRIDOXINE HYDROCHLORIDE clinicaltrials
PYRIDOXINE clinicaltrials
HY-B1328 MedChemExpress
J2.095.349G Nikkaji
DTXSID4023541 EPA CompTox Dashboard
50103505 BindingDB
2836 DrugCentral
ZINC000000049154 ZINC
J2.356F Nikkaji
VITAMIN B6 rxnorm
CB0197939 ChemicalBook
MTBLC16709 Metabolights
The data in this table is sourced from UniChem at EBI.