Dataset

2-(2-BENZOTHIAZOLYL)AZO-4-(N,N-DIMETHYL)AMINOBENZOIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009973 contains the MS mass spectrum of 2-(2-BENZOTHIAZOLYL)AZO-4-(N,N-DIMETHYL)AMINOBENZOIC ACID with the InChIkey IUIWKULRUPRNEN-VHEBQXMUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14N4O2S/c1-20(2)10-7-8-11(15(21)22)13(9-10)18-19-16-17-12-5-3-4-6-14(12)23-16/h3-9H,1-2H3,(H,21,22)/b19-18+
SMILES CN(C)c(c1)cc(N=Nc(n2)sc(c3)c(ccc3)2)c(C(O)=O)c1
InChI Key IUIWKULRUPRNEN-VHEBQXMUSA-N
Molecular Formula C16H14N4O2S
Exact Mass 326.084 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-JP009973
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol2528(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101588537 pubchem
    The data in this table is sourced from UniChem at EBI.