MassBank Record: KO002475



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

ACCESSION: KO002475
RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 337 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0079-0019000000-4995338b7526764bbad3 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 115.100 54455.5 1 119.300 19802.0 1 128.600 24752.5 1 154.100 202970.5 1 161.100 2376240.0 5 162.300 49505.0 1 175.900 89109.0 1 176.500 29703.0 1 205.000 29703.0 1 219.700 24752.5 1 233.100 14851.5 1 255.400 54455.5 1 263.400 148515.0 1 265.600 59406.0 1 273.700 14851.5 1 275.500 5633669.0 11 276.100 79208.0 1 278.400 1267328.0 2 290.700 74257.5 1 291.500 2485151.0 5 292.400 102638716.5 202 293.500 123762.5 1 303.500 737624.5 1 304.600 17470314.5 34 305.700 1549506.5 3 306.500 20717842.5 41 308.500 69307.0 1 318.500 282178.5 1 320.500 130430823.5 257 321.500 216183384.5 426 331.500 19802.0 1 333.800 103960.5 1 335.100 232673.5 1 336.000 17787146.5 35 336.500 506772784.0 999 //