Dataset

ACENAPHTHYLENE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012335 contains the MS mass spectrum of ACENAPHTHYLENE with the InChIkey HXGDTGSAIMULJN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
SMILES c(c3)cc(C=1)c(c32)c(ccc2)C1
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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP012335
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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.