Dataset

Abrine; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80667 contains the MS mass spectrum of Abrine with the InChIkey CZCIKBSVHDNIDH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)
SMILES CNC(CC1=CNC2=CC=CC=C21)C(=O)O
InChI Key CZCIKBSVHDNIDH-UHFFFAOYSA-N
Molecular Formula C12H14N2O2
Exact Mass 218.106 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-BML80667
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    25200727 PubChem
    1122811 eMolecules
    PD001345 ProbesDrugs
    CHEMBL2360657 ChEMBL
    LSM-4361 LINCS
    SCHEMBL18777 SureChEMBL
    15092841 PubChem: Thomson Pharma
    80004321 NMRShiftDB
    93824 ChEBI
    MCULE-7141702170 Mcule
    J3.241.439G Nikkaji
    112005 Brenda
    49996 Brenda
    9581 Brenda
    914 PubChem
    The data in this table is sourced from UniChem at EBI.