Dataset

1-ISOTHIOCYANATO-2-PHENYLETHANE (1,1,2,2-D4); EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004523 contains the MS mass spectrum of 1-ISOTHIOCYANATO-2-PHENYLETHANE (1,1,2,2-D4) with the InChIkey IZJDOKYDEWTZSO-KXGHAPEVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2/i6D2,7D2
SMILES S=C=NC([2H])([2H])C([2H])([2H])c(c1)cccc1
InChI Key IZJDOKYDEWTZSO-KXGHAPEVSA-N
Molecular Formula C9H9NS
Exact Mass 163.046 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-JP004523
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1,1,2,2-tetradeuterio-2-isothiocyanatoethyl)benzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101621138 PubChem
    J46.043E Nikkaji
    The data in this table is sourced from UniChem at EBI.