Dataset

O-METHOXYPHENOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003526 contains the MS mass spectrum of O-METHOXYPHENOL with the InChIkey LHGVFZTZFXWLCP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
SMILES COc(c1)c(O)ccc1
InChI Key LHGVFZTZFXWLCP-UHFFFAOYSA-N
Molecular Formula C7H8O2
Exact Mass 124.052 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-JP003526
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-methoxyphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    44422 Brenda
    4880 Brenda
    HMDB0001398 Human Metabolome Database
    28591 Rhea
    guaiacol DailyMed
    CB3373808 ChemicalBook
    CB3214914 ChemicalBook
    ZINC000013512224 ZINC
    97706 Brenda
    359 Brenda
    123792 Brenda
    30294 Brenda
    MTBLC28591 Metabolights
    MCULE-5627336368 Mcule
    20035577 NMRShiftDB
    6JKA7MAH9C FDA SRS
    15297173 PubChem: Thomson Pharma
    SCHEMBL21626 SureChEMBL
    90-05-1 ACToR
    8021-39-4 ACToR
    26638-03-9 ACToR
    LSM-6001 LINCS
    PD000172 ProbesDrugs
    460 PubChem
    515623 eMolecules
    CHEMBL13766 ChEMBL
    C15572 KEGG Ligand
    C01502 KEGG Ligand
    JZ3 PDBe
    28591 ChEBI
    GUAIACOL rxnorm
    224732 Brenda
    GUAIACOL DailyMed
    50240369 BindingDB
    1334 DrugCentral
    GUAIACOL clinicaltrials
    GIHBOQ CCDC
    CB92646117 ChemicalBook
    HY-N1380 MedChemExpress
    J3.217D Nikkaji
    DB11359 DrugBank
    DTXSID0023113 EPA CompTox Dashboard
    221597 Brenda
    CB2382221 ChemicalBook
    The data in this table is sourced from UniChem at EBI.