Dataset

1-METHOXY-4-METHYLBENZENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007432 contains the MS mass spectrum of 1-METHOXY-4-METHYLBENZENE with the InChIkey CHLICZRVGGXEOD-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
SMILES	COc(c1)ccc(C)c1
InChI Key	CHLICZRVGGXEOD-UHFFFAOYSA-N
Molecular Formula	C8H10O
Exact Mass	122.073 g/mol

Data and Resources

1-METHOXY-4-METHYLBENZENEHTML
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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-JP007432
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:04.554629
MetadataModified	2024-01-11T15:56:04.731728
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL154155	ChEMBL
482334	eMolecules
DTXSID9026710	EPA CompTox Dashboard
ZINC000001693359	ZINC
89728	ChEBI
4-METHYL ANISOLE	rxnorm
HY-W012835	MedChemExpress
50008555	BindingDB
J10.114A	Nikkaji
HMDB0032076	Human Metabolome Database
CB0327875	ChemicalBook
111612	Brenda
PD164982	ProbesDrugs
10FAI0OR9W	FDA SRS
104-93-8	ACToR
15188740	PubChem: Thomson Pharma
SCHEMBL12464	SureChEMBL
3494-45-9	ACToR
7731	PubChem
BIMVIF	CCDC
MCULE-8571139509	Mcule
10025051	NMRShiftDB
The data in this table is sourced from UniChem at EBI.