MassBank Record: KO002473



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

ACCESSION: KO002473
RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B024

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$LINK: NIKKAJI J7.320B CH$LINK: PUBCHEM SID:4019
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 337 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0009000000-2993f75f22b9532dc39f PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 124.200 79208.0 1 154.200 1410892.5 1 161.200 3792083.0 2 171.800 24752.5 1 176.100 242574.5 1 200.300 54455.5 1 202.200 44554.5 1 203.900 24752.5 1 205.100 2064358.5 1 207.500 39604.0 1 217.400 54455.5 1 219.000 34653.5 1 221.100 49505.0 1 223.000 54455.5 1 230.200 39604.0 1 241.300 34653.5 1 243.600 44554.5 1 246.000 14851.5 1 247.600 29703.0 1 255.200 148515.0 1 268.800 19802.0 1 275.500 69307.0 1 277.600 39604.0 1 278.400 108911.0 1 287.500 39604.0 1 292.400 435644.0 1 301.200 34653.5 1 304.600 193069.5 1 306.400 99010.0 1 318.200 84158.5 1 319.400 257426.0 1 320.600 668317.5 1 321.500 1564358.0 1 322.000 9901.0 1 336.000 40376278.0 24 336.500 1648803629.0 999 //