Dataset

2,4,5-TRIMETHOXYBENZOIC ACID

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011217 contains the MS mass spectrum of 2,4,5-TRIMETHOXYBENZOIC ACID with the InChIkey KVZUCOGWKYOPID-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
SMILES COc(c1)c(OC)cc(C(O)=O)c(OC)1
InChI Key KVZUCOGWKYOPID-UHFFFAOYSA-N
Molecular Formula C10H12O5
Exact Mass 212.068 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-JP011217
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:57.115544
MetadataModified 2024-01-11T15:57:57.313191
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10276 PubChem
PD166638 ProbesDrugs
481381 eMolecules
SCHEMBL347214 SureChEMBL
15141121 PubChem: Thomson Pharma
490-64-2 ACToR
CB3390777 ChemicalBook
ZINC000000388242 ZINC
DTXSID4060076 EPA CompTox Dashboard
167419 ChEBI
J65E Nikkaji
20041099 NMRShiftDB
MCULE-7475512083 Mcule
The data in this table is sourced from UniChem at EBI.