Dataset

Isophorone diamine; ESI-QTOF; MS2; CE: 10; [M+H]+

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000030 contains the MS2 mass spectrum of Isophorone diamine with the InChIkey RNLHGQLZWXBQNY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3
SMILES CC1(C)CC(N)CC(C)(C1)CN
InChI Key RNLHGQLZWXBQNY-UHFFFAOYSA-N
Molecular Formula C10H22N2
Exact Mass 170.178 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-EPA-ENTACT_AGILENT000030
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MetadataPublished 2023-05-02
Related Molecule
  • 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1876029 chembl
    15383 surechembl
    17857 pubchem
    Molport-003-926-044 molport
    The data in this table is sourced from UniChem at EBI.