Dataset

4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA005205 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 c1(C(C)C)ccc(N)cc1
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-Eawag-EA005205
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MetadataPublished 2014-01-14
Related Molecule
  • 4-propan-2-ylaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    7464 PubChem
    15016624 PubChem: Thomson Pharma
    SCHEMBL5955 SureChEMBL
    0D54T7V7XL FDA SRS
    99-88-7 ACToR
    PD008541 ProbesDrugs
    485432 eMolecules
    MCULE-2931681430 Mcule
    43405 ChEBI
    20055894 NMRShiftDB
    MTBLC43405 Metabolights
    HMDB0062481 Human Metabolome Database
    ISO PDBe
    DB02114 DrugBank
    J11.624F Nikkaji
    DTXSID20243932 EPA CompTox Dashboard
    ZINC000001683362 ZINC
    CB0466475 ChemicalBook
    The data in this table is sourced from UniChem at EBI.