Dataset

3,4,5-TRIMETHOXY BENZALDEHYDE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002907 contains the MS mass spectrum of 3,4,5-TRIMETHOXY BENZALDEHYDE with the InChIkey OPHQOIGEOHXOGX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3
SMILES O=Cc(c1)cc(OC)c(OC)c(OC)1
InChI Key OPHQOIGEOHXOGX-UHFFFAOYSA-N
Molecular Formula C10H12O4
Exact Mass 196.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP002907
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:19.752608
MetadataModified 2024-01-11T15:57:19.934935
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID4058948 EPA CompTox Dashboard
ZINC000002504375 ZINC
CHEMBL3577781 ChEMBL
HY-W009886 MedChemExpress
J47.615C Nikkaji
RAJKOC CCDC
20040762 NMRShiftDB
13121 Brenda
CB3764934 ChemicalBook
PD002060 ProbesDrugs
WL86YD76N6 FDA SRS
86-81-7 ACToR
532789 eMolecules
27524530 eMolecules
15120888 PubChem: Thomson Pharma
6858 PubChem
MCULE-4313260384 Mcule
SCHEMBL96635 SureChEMBL
The data in this table is sourced from UniChem at EBI.