Dataset

1-Hydroxypyrene; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU050053 contains the MS2 mass spectrum of 1-Hydroxypyrene with the InChIkey BIJNHUAPTJVVNQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H
SMILES OC1=C2C=CC3=CC=CC4=CC=C(C=C1)C2=C34
InChI Key BIJNHUAPTJVVNQ-UHFFFAOYSA-N
Molecular Formula C16H10O
Exact Mass 218.073 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU050053
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MetadataPublished 2020-08-19
Related Molecule
  • pyren-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34093 chebi
    CHEMBL3184813 chembl
    218996 surechembl
    29362339 surechembl
    29571791 surechembl
    21387 pubchem
    N2H6O5V707 fdasrs
    PD158310 probes_and_drugs
    LIXQIV CCDC
    136079 brenda
    13788 brenda
    253284 brenda
    32014 brenda
    HMDB0013139 hmdb
    DTXSID1038298 comptox
    Molport-003-848-037 molport
    The data in this table is sourced from UniChem at EBI.