MassBank Record: KO002476



 Berberine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002476
RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 337 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00dl-0059000000-ab35b8a7ec73f1063bb2 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 77.900 9901.0 1 135.300 9901.0 1 137.100 29703.0 1 161.300 1321783.5 4 176.100 49505.0 1 177.100 34653.5 1 190.500 19802.0 1 191.600 19802.0 1 219.300 69307.0 1 234.200 69307.0 1 234.600 59406.0 1 238.900 14851.5 1 246.400 59406.0 1 249.100 74257.5 1 260.100 103960.5 1 262.500 183168.5 1 263.400 2371289.5 7 264.200 445545.0 1 274.200 168317.0 1 275.400 26623789.0 77 276.500 1321783.5 4 277.500 386139.0 1 278.500 21287150.0 62 289.300 133663.5 1 290.400 509901.5 1 291.500 12500012.5 36 292.400 274455720.0 794 293.500 143564.5 1 302.200 64356.5 1 303.500 559406.5 2 304.500 68163434.5 197 306.500 71777299.5 208 308.400 64356.5 1 315.700 14851.5 1 316.800 54455.5 1 317.700 158416.0 1 318.400 7405948.0 21 319.600 1648516.5 5 320.500 345530048.5 999 321.500 65876303.5 190 334.000 49505.0 1 334.700 39604.0 1 336.500 32539636.5 94 //