Dataset

Eserine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00367 contains the MS2 mass spectrum of Eserine with the InChIkey PIJVFDBKTWXHHD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
SMILES CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C
InChI Key PIJVFDBKTWXHHD-UHFFFAOYSA-N
Molecular Formula C15H21N3O2
Exact Mass 275.163 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00367
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MetadataPublished 2016-01-19
Related Molecule
  • (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-methylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:182905 chebi
    CHEMBL11773 chembl
    24045 surechembl
    4811 pubchem
    6598 gtopdb
    PD071427 probes_and_drugs
    Molport-004-955-150 molport
    10709 bindingdb
    The data in this table is sourced from UniChem at EBI.