Dataset

Eseroline; LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ358308 contains the MS2 mass spectrum of Eseroline with the InChIkey HKGWQUVGHPDEBZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H18N2O/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3
SMILES CC12CCN(C1N(C3=C2C=C(C=C3)O)C)C
InChI Key HKGWQUVGHPDEBZ-UHFFFAOYSA-N
Molecular Formula C13H18N2O
Exact Mass 218.142 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-EQ358308
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MetadataPublished 2015-08-25
Related Molecule
  • 3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1984307 eMolecules
    1250 PubChem
    CHEMBL2322559 ChEMBL
    469-22-7 ACToR
    PD030285 ProbesDrugs
    15936333 PubChem: Thomson Pharma
    SCHEMBL150459 SureChEMBL
    HMDB0243538 Human Metabolome Database
    MCULE-5432416793 Mcule
    The data in this table is sourced from UniChem at EBI.