Dataset

1,2,3-TRIMETHYLBENZENE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006131 contains the MS mass spectrum of 1,2,3-TRIMETHYLBENZENE with the InChIkey FYGHSUNMUKGBRK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
SMILES Cc(c1)c(C)c(C)cc1
InChI Key FYGHSUNMUKGBRK-UHFFFAOYSA-N
Molecular Formula C9H12
Exact Mass 120.094 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-JP006131
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1,2,3-trimethylbenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    FEJHEK CCDC
    J1.582B Nikkaji
    CB9935987 ChemicalBook
    ZINC000001680739 ZINC
    DTXSID8047769 EPA CompTox Dashboard
    CB6853732 ChemicalBook
    C14518 KEGG Ligand
    CHEMBL1797279 ChEMBL
    34037 ChEBI
    HMDB0059901 Human Metabolome Database
    MTBLC34037 Metabolights
    SCHEMBL20183944 SureChEMBL
    SCHEMBL40704 SureChEMBL
    MCULE-1130443786 Mcule
    10016547 NMRShiftDB
    10686 PubChem
    15194414 PubChem: Thomson Pharma
    ZK4R7UPH6R FDA SRS
    526-73-8 ACToR
    510596 eMolecules
    The data in this table is sourced from UniChem at EBI.