Dataset

1,4-BIS(MERCAPTOMETHYL)BENZENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005440 contains the MS mass spectrum of 1,4-BIS(MERCAPTOMETHYL)BENZENE with the InChIkey IYPNRTQAOXLCQW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
SMILES SCc(c1)ccc(CS)c1
InChI Key IYPNRTQAOXLCQW-UHFFFAOYSA-N
Molecular Formula C8H10S2
Exact Mass 170.022 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-JP005440
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • [4-(sulfanylmethyl)phenyl]methanethiol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    66043 PubChem
    SCHEMBL127369 SureChEMBL
    K48UBZ9IMD FDA SRS
    CB6348355 ChemicalBook
    105-09-9 ACToR
    482264 eMolecules
    16214598 PubChem: Thomson Pharma
    DTXSID1059313 EPA CompTox Dashboard
    MCULE-9201172948 Mcule
    ZINC000000388282 ZINC
    J182.192J Nikkaji
    The data in this table is sourced from UniChem at EBI.