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

molecular Image
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

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.