Dataset

Chanoclavine-I; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000324 contains the MS2 mass spectrum of Chanoclavine-I with the InChIkey SAHHMCVYMGARBT-HEESEWQSSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1
SMILES C/C(=C\[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)/CO
InChI Key SAHHMCVYMGARBT-HEESEWQSSA-N
Molecular Formula C16H20N2O
Exact Mass 256.158 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-AAFC-AC000324
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Maintainer
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MetadataPublished 2017-07-07
Related Molecule
  • (E)-2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:3576 chebi
    29745651 surechembl
    5281381 pubchem
    32X6F73RE2 fdasrs
    KALYAA CCDC
    15231 brenda
    The data in this table is sourced from UniChem at EBI.