MassBank Record: KO008888



 Berberine; LC-ESI-IT; MS3; m/z: 336/292; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008888
RECORD_TITLE: Berberine; LC-ESI-IT; MS3; m/z: 336/292; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B024
COMMENT: [MS2] KO008886

CH$NAME: Berberine CH$NAME: Umbellatine CH$COMPOUND_CLASS: N/A CH$FORMULA: [C20H18NO4]+ CH$EXACT_MASS: 336.12358 CH$SMILES: COc(c5)c(OC)c(c4)c(c5)cc([n+1]34)c(c1)c(CC3)cc(O2)c(OC2)1 CH$IUPAC: InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 CH$LINK: CAS 2086-83-1 CH$LINK: CHEBI 16118 CH$LINK: KEGG C00757 CH$LINK: PUBCHEM 4019 CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 1.10/0.80
MS$FOCUSED_ION: PRECURSOR_M/Z 336/292 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0006-0090000000-bacf940c54361560b64b PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 250.2 2.02 10 262.0 8.23 42 264.2 1.08 6 265.2 21.21 108 277.1 8.83 45 278.1 13.58 69 291.0 15.90 81 292.1 195.48 999 293.1 44.36 227 307.2 2.15 11 //