MassBank Record: PB001521



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

ACCESSION: PB001521
RECORD_TITLE: Boldine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
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: 841
COMMENT: CONFIDENCE: confident structure

CH$NAME: Boldine CH$NAME: 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)- CH$COMPOUND_CLASS: Natural Product; Aporphine Alkaloids CH$FORMULA: C19H21NO4 CH$EXACT_MASS: 327.14706 CH$SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O CH$IUPAC: InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1 CH$LINK: INCHIKEY LZJRNLRASBVRRX-ZDUSSCGKSA-N CH$LINK: PUBCHEM CID:10154
AC$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+H]+
PK$SPLASH: splash10-014r-0090000000-4ec0cbd1c39d3f4d6bc8 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 44.000 887.724 87 45.000 191.445 18 58.000 10.782 0 165.000 20.651 1 166.000 12.320 0 177.000 180.232 17 178.000 17.785 0 191.000 27.165 1 194.000 55.135 4 195.000 12.628 0 205.000 1285.437 127 206.000 42.786 3 207.000 17.175 0 209.000 62.101 5 210.000 13.648 0 211.000 12.665 0 219.000 30.158 2 222.000 279.483 26 223.000 44.046 3 225.000 144.410 13 226.000 37.359 2 233.000 1238.905 122 234.000 148.492 13 235.000 20.298 1 236.000 18.240 0 237.000 6199.653 618 238.000 34.967 2 239.000 61.117 5 240.000 15.619 0 247.000 16.985 0 250.000 239.228 22 251.000 105.316 9 252.000 13.898 0 253.000 213.759 20 254.000 185.958 17 255.000 30.912 2 264.000 32.380 2 265.000 10000.000 999 266.000 789.576 77 267.000 291.319 28 268.000 35.221 2 269.000 30.638 2 270.000 25.829 1 282.000 1300.806 129 283.000 38.489 2 297.000 2063.547 205 298.000 65.248 5 328.000 76.960 6 //