Dataset

META-METHYLPHENOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004015 contains the MS mass spectrum of META-METHYLPHENOL with the InChIkey RLSSMJSEOOYNOY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
SMILES Cc(c1)cc(O)cc1
InChI Key RLSSMJSEOOYNOY-UHFFFAOYSA-N
Molecular Formula C7H8O
Exact Mass 108.058 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-JP004015
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    MCRSOL CCDC
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    DTXSID6024200 EPA CompTox Dashboard
    6037 Brenda
    M-CRESOL clinicaltrials
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    METACRESOL rxnorm
    50008548 BindingDB
    CHEMBL298312 ChEMBL
    17231 ChEBI
    CRS PDBe
    DB01776 DrugBank
    C01467 KEGG Ligand
    342 PubChem
    PD002506 ProbesDrugs
    GGO4Y809LO FDA SRS
    15194310 PubChem: Thomson Pharma
    15831-10-4 ACToR
    108-39-4 ACToR
    474502 eMolecules
    ZINC000000897141 ZINC
    211031 Brenda
    CB7852747 ChemicalBook
    4028 Brenda
    HMDB0002048 Human Metabolome Database
    17231 Rhea
    8003 Brenda
    MTBLC17231 Metabolights
    MCULE-6836106503 Mcule
    SCHEMBL10736 SureChEMBL
    10008599 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.