Dataset

Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS108701 contains the MS2 mass spectrum of Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde with the InChIkey KCDXJAYRVLXPFO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
SMILES COC1=CC(=CC(=C1O)OC)C=O
InChI Key KCDXJAYRVLXPFO-UHFFFAOYSA-N
Molecular Formula C9H10O4
Exact Mass 182.175 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-PS108701
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:26.999811
MetadataModified 2024-01-11T21:07:27.184257
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J5.601D Nikkaji
IZALAW CCDC
HMDB0258653 Human Metabolome Database
HY-N1390 MedChemExpress
ZINC000000152926 ZINC
DTXSID2059643 EPA CompTox Dashboard
CHEMBL225303 ChEMBL
IJV PDBe
PD065283 ProbesDrugs
14891864 PubChem: Thomson Pharma
134-96-3 ACToR
2ZR01KTT21 FDA SRS
20035535 NMRShiftDB
8655 PubChem
MCULE-3798898100 Mcule
67380 ChEBI
SCHEMBL150376 SureChEMBL
MTBLC67380 Metabolights
CB7405808 ChemicalBook
23426 Brenda
91324 Brenda
4943 Brenda
43258 Brenda
531762 eMolecules
The data in this table is sourced from UniChem at EBI.