Dataset

PARA-CYMENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007565 contains the MS mass spectrum of PARA-CYMENE with the InChIkey HFPZCAJZSCWRBC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
SMILES CC(C)c(c1)ccc(C)c1
InChI Key HFPZCAJZSCWRBC-UHFFFAOYSA-N
Molecular Formula C10H14
Exact Mass 134.110 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-JP007565
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-methyl-4-propan-2-ylbenzene
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    Measurement Technique liquid chromatography-mass spectrometry
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    PD076332 ProbesDrugs
    1G1C8T1N7Q FDA SRS
    14793787 PubChem: Thomson Pharma
    4939-75-7 ACToR
    25155-15-1 ACToR
    99-87-6 ACToR
    495775 eMolecules
    SCHEMBL1143 SureChEMBL
    10008802 NMRShiftDB
    CB9262508 ChemicalBook
    28768 Rhea
    248165 BindingDB
    HMDB0005805 Human Metabolome Database
    71405 Brenda
    175882 Brenda
    MTBLC28768 Metabolights
    LMPR0102090014 LipidMaps
    MCULE-1794861612 Mcule
    J11.621A Nikkaji
    4-CYMENE rxnorm
    ZINC000000968246 ZINC
    PIWBIK CCDC
    DTXSID3026645 EPA CompTox Dashboard
    MML PDBe
    CHEMBL442915 ChEMBL
    28768 ChEBI
    C06575 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.