Dataset

Peganine; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81910 contains the MS mass spectrum of Peganine with the InChIkey YIICVSCAKJMMDJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2
SMILES C1CN2CC3=CC=CC=C3N=C2C1O
InChI Key YIICVSCAKJMMDJ-UHFFFAOYSA-N
Molecular Formula C11H12N2O
Exact Mass 188.095 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-BML81910
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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    Measurement Technique liquid chromatography-mass spectrometry
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    72610 PubChem
    PD076967 ProbesDrugs
    15195289 PubChem: Thomson Pharma
    6159-55-3 ACToR
    SCHEMBL1923629 SureChEMBL
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    4368780 eMolecules
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    CHEMBL1186527 ChEMBL
    0VFV53RMC2 FDA SRS
    TATBEX CCDC
    247299 Brenda
    HMDB0256199 Human Metabolome Database
    HY-N7031 MedChemExpress
    CB8967589 ChemicalBook
    The data in this table is sourced from UniChem at EBI.