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-PS108702 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-PS108702
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:46.148194
MetadataModified 2024-01-11T21:06:46.306136
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL225303 ChEMBL
531762 eMolecules
IJV PDBe
PD065283 ProbesDrugs
14891864 PubChem: Thomson Pharma
134-96-3 ACToR
2ZR01KTT21 FDA SRS
67380 ChEBI
IZALAW CCDC
J5.601D Nikkaji
20035535 NMRShiftDB
8655 PubChem
SCHEMBL150376 SureChEMBL
MCULE-3798898100 Mcule
HMDB0258653 Human Metabolome Database
DTXSID2059643 EPA CompTox Dashboard
HY-N1390 MedChemExpress
ZINC000000152926 ZINC
CB7405808 ChemicalBook
43258 Brenda
23426 Brenda
91324 Brenda
4943 Brenda
MTBLC67380 Metabolights
The data in this table is sourced from UniChem at EBI.