Dataset

Huperzine A; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA03130 contains the MS2 mass spectrum of Huperzine A with the InChIkey ZRJBHWIHUMBLCN-QDEBKDIKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
SMILES C/C=C1\C2C=C(C)CC1(N)c1ccc(O)nc1C2
InChI Key ZRJBHWIHUMBLCN-QDEBKDIKSA-N
Molecular Formula C15H18N2O
Exact Mass 242.323 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-RIKEN_NPDepo-NGA03130
Version
Author
Maintainer
Language
MetadataPublished 2018-04-04
Related Molecule
  • (13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL394259 chembl
    679315 surechembl
    5912039 pubchem
    PD008704 probes_and_drugs
    48341 brenda
    53875 brenda
    Molport-003-941-680 molport
    Molport-022-396-595 molport
    10441 bindingdb
    The data in this table is sourced from UniChem at EBI.