Dataset

4-Isopropylaniline; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM882201 contains the MS2 mass spectrum of 4-Isopropylaniline with the InChIkey LRTFPLFDLJYEKT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
SMILES CC(C)C1=CC=C(N)C=C1
InChI Key LRTFPLFDLJYEKT-UHFFFAOYSA-N
Molecular Formula C9H13N
Exact Mass 135.105 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2016-SM882201
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Maintainer
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MetadataPublished 2016-12-12
Related Molecule
  • 4-propan-2-ylaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02114 drugbank
    CHEBI:43405 chebi
    ISO rcsb_pdb
    5955 surechembl
    7464 pubchem
    0D54T7V7XL fdasrs
    PD008541 probes_and_drugs
    ISO pdbe
    HMDB0062481 hmdb
    Molport-000-145-863 molport
    The data in this table is sourced from UniChem at EBI.