Dataset

4-METHYLBENZYL ALCOHOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006254 contains the MS mass spectrum of 4-METHYLBENZYL ALCOHOL with the InChIkey KMTDMTZBNYGUNX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
SMILES	OCc(c1)ccc(C)c1
InChI Key	KMTDMTZBNYGUNX-UHFFFAOYSA-N
Molecular Formula	C8H10O
Exact Mass	122.073 g/mol

Data and Resources

4-METHYLBENZYL ALCOHOLHTML
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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-JP006254
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:30.455658
MetadataModified	2024-01-11T15:56:30.637038
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB2694649	ChemicalBook
218263	Brenda
1895	Rhea
106973	Brenda
HMDB0041609	Human Metabolome Database
MTBLC1895	Metabolights
9060	Brenda
ZINC000000896402	ZINC
DTXSID5025574	EPA CompTox Dashboard
XABREY	CCDC
VTG	PDBe
J28.550A	Nikkaji
20035890	NMRShiftDB
11505	PubChem
15898191	PubChem: Thomson Pharma
EXZ915A627	FDA SRS
31831-37-5	ACToR
589-18-4	ACToR
SCHEMBL3337	SureChEMBL
185532-77-8	ACToR
C06757	KEGG Ligand
CHEMBL90100	ChEMBL
1895	ChEBI
480191	eMolecules
The data in this table is sourced from UniChem at EBI.