Dataset

Nor-C-fluorocurarine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA01175 contains the MS2 mass spectrum of Nor-C-fluorocurarine with the InChIkey VFUITWPFKLGEQA-IJEMKVKBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H20N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h2-6,11,13,17,20H,7-10H2,1H3/b12-2-/t13-,17?,19?/m0/s1
SMILES C/C=C1/CN2CCC34C(=C(C=O)[C@H]1CC23)Nc1ccccc14
InChI Key VFUITWPFKLGEQA-IJEMKVKBSA-N
Molecular Formula C19H20N2O
Exact Mass 292.384 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-NGA01175
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MetadataPublished 2018-04-04
Related Molecule
  • (11S,12E)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139292102 PubChem
    60081680 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.