Dataset

PARA IODOTOLUENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000085 contains the MS mass spectrum of PARA IODOTOLUENE with the InChIkey UDHAWRUAECEBHC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
SMILES Cc(c1)ccc(I)c1
InChI Key UDHAWRUAECEBHC-UHFFFAOYSA-N
Molecular Formula C7H7I
Exact Mass 217.959 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-JP000085
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-iodo-4-methylbenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J43.527I Nikkaji
    DTXSID4060785 EPA CompTox Dashboard
    ZINC000001003750 ZINC
    ITOLEN CCDC
    CB0277912 ChemicalBook
    CB3427714 ChemicalBook
    10008683 NMRShiftDB
    G75KCN1AM8 FDA SRS
    MCULE-7374554905 Mcule
    SCHEMBL158 SureChEMBL
    624-31-7 ACToR
    14773479 PubChem: Thomson Pharma
    12207 PubChem
    488322 eMolecules
    XQM PDBe
    The data in this table is sourced from UniChem at EBI.