Dataset

Acenapthylene; GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU590219 contains the MS2 mass spectrum of Acenapthylene with the InChIkey HXGDTGSAIMULJN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
SMILES C1=CC2=C3C1=CC=CC3=CC=C2
InChI Key HXGDTGSAIMULJN-UHFFFAOYSA-N
Molecular Formula C12H8
Exact Mass 152.063 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-Athens_Univ-AU590219
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Maintainer
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MetadataPublished 2019-11-21
Related Molecule
  • acenaphthylene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB1665589 ChemicalBook
    125427 Brenda
    SCHEMBL26037 SureChEMBL
    10016518 NMRShiftDB
    9161 PubChem
    CHEMBL2132328 ChEMBL
    15120186 PubChem: Thomson Pharma
    PD158308 ProbesDrugs
    CB1781056 ChemicalBook
    1Z25C36811 FDA SRS
    208-96-8 ACToR
    34493-60-2 ACToR
    474264 eMolecules
    J2.561E Nikkaji
    HY-W013570 MedChemExpress
    ACENYL CCDC
    HMDB0247900 Human Metabolome Database
    ZINC000001689804 ZINC
    DTXSID3023845 EPA CompTox Dashboard
    MCULE-4571389115 Mcule
    33081 ChEBI
    The data in this table is sourced from UniChem at EBI.