MassBank Record: PB005901



 Chelidonine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005901
RECORD_TITLE: Chelidonine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.20, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2461
COMMENT: CONFIDENCE: confident structure

CH$NAME: Chelidonine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C20H19NO5 CH$EXACT_MASS: 353.12632 CH$SMILES: CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6 CH$IUPAC: InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3 CH$LINK: INCHIKEY GHKISGDRQRSCII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:10147
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0009000000-6229b162d8c0ff44a1a3 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 247.072 50.050 4 265.081 10.010 0 275.067 500.500 49 276.070 60.060 5 293.076 10.010 0 295.093 80.080 7 296.096 10.010 0 305.077 730.731 72 306.081 100.100 9 323.087 640.641 63 324.091 90.090 8 336.120 130.130 12 337.122 20.020 1 353.866 10.010 0 354.130 10000.000 999 354.568 10.010 0 355.133 1611.612 160 356.134 30.030 2 //