MassBank Record: KO002477



 Berberine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002477
RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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 CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 337 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00fu-0089000000-09273e18fcd3186156f0 PK$NUM_PEAK: 67 PK$PEAK: m/z int. rel.int. 91.200 103960.5 1 134.000 54455.5 1 152.100 39604.0 1 161.400 544555.0 3 190.400 29703.0 1 191.300 84158.5 1 204.300 89109.0 1 205.500 113861.5 1 206.300 54455.5 1 216.200 108911.0 1 217.100 277228.0 1 218.700 99010.0 1 219.400 188119.0 1 220.100 227723.0 1 221.300 49505.0 1 224.500 34653.5 1 225.100 173267.5 1 231.400 74257.5 1 232.500 173267.5 1 233.500 564357.0 3 234.100 1267328.0 7 235.300 465347.0 2 236.500 183168.5 1 239.100 24752.5 1 244.000 34653.5 1 245.100 202970.5 1 246.400 504951.0 3 247.300 381188.5 2 248.600 628713.5 3 249.400 1366338.0 7 250.500 331683.5 2 258.900 24752.5 1 260.400 757426.5 4 261.500 500000.5 3 262.300 2425745.0 13 263.500 8722781.0 45 264.500 2287131.0 12 265.300 64356.5 1 273.000 64356.5 1 273.900 138614.0 1 274.400 1762378.0 9 275.400 24089133.0 125 276.500 2930696.0 15 277.600 7049512.0 37 278.500 96643661.0 503 287.000 24752.5 1 288.300 396040.0 2 289.500 1440595.5 7 290.400 3445548.0 18 291.600 8094067.5 42 292.500 158183326.5 823 299.900 19802.0 1 300.800 34653.5 1 301.900 69307.0 1 302.500 277228.0 1 303.700 1054456.5 5 304.500 60203030.5 313 305.600 995050.5 5 306.500 25059431.0 130 315.100 49505.0 1 316.200 178218.0 1 317.400 504951.0 3 318.400 55534709.0 289 320.500 191945736.5 999 321.500 2222774.5 12 335.600 39604.0 1 336.700 391089.5 2 //