Dataset

Methoxyprotocatechuic Aldehyde, 2-Methoxy-4-formylphenol, 4-Formyl-2-methoxyphenol, Zimco, Vanillaldehyde, Vanillin, Lioxin, Vanilla, 4-Hydroxy-3-methoxybenzaldehyde, Vanillin Aldehyde, Vanillic aldehyde, Protocatechualdehyde Methyl Ether

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS073502 contains the MS2 mass spectrum of Methoxyprotocatechuic Aldehyde, 2-Methoxy-4-formylphenol, 4-Formyl-2-methoxyphenol, Zimco, Vanillaldehyde, Vanillin, Lioxin, Vanilla, 4-Hydroxy-3-methoxybenzaldehyde, Vanillin Aldehyde, Vanillic aldehyde, Protocatechualdehyde Methyl Ether with the InChIkey MWOOGOJBHIARFG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
SMILES COC1=C(C=CC(=C1)C=O)O
InChI Key MWOOGOJBHIARFG-UHFFFAOYSA-N
Molecular Formula C8H8O3
Exact Mass 152.149 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-PS073502
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:18:05.884632
MetadataModified 2025-02-09T19:06:17.110514
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1183 PubChem
PD010486 ProbesDrugs
CHI530446X FDA SRS
121-33-5 ACToR
15219260 PubChem: Thomson Pharma
vanillin Selleck
SCHEMBL1213 SureChEMBL
533216 eMolecules
ZINC000002567933 ZINC
CB8262475 ChemicalBook
CB7484931 ChemicalBook
18346 Rhea
HMDB0012308 Human Metabolome Database
165057 Brenda
12368 Brenda
109705 Brenda
176030 Brenda
2713 Brenda
109706 Brenda
MTBLC18346 Metabolights
10008648 NMRShiftDB
MCULE-1294709490 Mcule
50177405 BindingDB
DTXSID0021969 EPA CompTox Dashboard
YUHTEA CCDC
12347 Brenda
1167 Brenda
HY-N0098 MedChemExpress
VANILLIN clinicaltrials
VANILLIN rxnorm
6412 Guide to Pharmacology
J2.923H Nikkaji
CB82511531 ChemicalBook
C00755 KEGG Ligand
V55 PDBe
18346 ChEBI
CHEMBL13883 ChEMBL
The data in this table is sourced from UniChem at EBI.