MassBank Record: PB001481



 Berberine; LC-ESI-QQ; MS2; CE:30 eV; M+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB001481
RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:30 eV; M+
DATE: 2016.01.19 (Created 2008.05.28, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 821
COMMENT: CONFIDENCE: confident structure

CH$NAME: Berberine CH$NAME: [Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy- CH$COMPOUND_CLASS: Natural Product; Berberine Alkaloids CH$FORMULA: C20H18NO4+ CH$EXACT_MASS: 336.12358 CH$SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC 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: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2353
AC$INSTRUMENT: TSQ 7000 AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE M+
PK$SPLASH: splash10-00dl-0039000000-5d1ff6b7636484db90d1 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 263.000 40.312 3 264.000 17.063 0 275.000 465.269 45 276.000 45.754 3 277.000 13.075 0 278.000 414.859 40 279.000 17.000 0 291.000 260.553 25 292.000 6855.643 684 293.000 30.945 2 303.000 27.691 1 304.000 1455.825 144 305.000 99.508 8 306.000 2051.824 204 307.000 38.868 2 318.000 200.827 19 319.000 30.821 2 320.000 10000.000 999 321.000 3089.308 307 335.000 14.409 0 336.000 2908.828 289 337.000 56.492 4 //