Dataset

1,2,3-TRIMETHOXYBENZENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010713 contains the MS mass spectrum of 1,2,3-TRIMETHOXYBENZENE with the InChIkey CRUILBNAQILVHZ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3
SMILES	COc(c1)c(OC)c(OC)cc1
InChI Key	CRUILBNAQILVHZ-UHFFFAOYSA-N
Molecular Formula	C9H12O3
Exact Mass	168.079 g/mol

Data and Resources

1,2,3-TRIMETHOXYBENZENEHTML
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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-JP010713
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:57:18.134854
MetadataModified	2024-01-11T15:57:18.314988
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
634-36-6	ACToR
63744-60-5	ACToR
12462	PubChem
481252	eMolecules
MRE1O894FG	FDA SRS
PD158341	ProbesDrugs
15147129	PubChem: Thomson Pharma
SCHEMBL151213	SureChEMBL
MTBLC86529	Metabolights
CB4332644	ChemicalBook
HY-W017092	MedChemExpress
HMDB0303354	Human Metabolome Database
MUNPOD	CCDC
DTXSID1060899	EPA CompTox Dashboard
ZINC000000152503	ZINC
86529	ChEBI
J122.021G	Nikkaji
MCULE-7414816052	Mcule
20208287	NMRShiftDB
The data in this table is sourced from UniChem at EBI.