MassBank Record: PB002121



 Protopine; 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: PB002121
RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.06.06, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 1441
COMMENT: CONFIDENCE: confident structure

CH$NAME: Protopine CH$NAME: Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl- CH$COMPOUND_CLASS: Natural Product; Berberine Alkaloids CH$FORMULA: C20H19NO5 CH$EXACT_MASS: 353.12632 CH$SMILES: CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3 CH$IUPAC: InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3 CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4970
AC$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$SPLASH: splash10-0f79-0936000000-da2afff6dba215da666a PK$NUM_PEAK: 105 PK$PEAK: m/z int. rel.int. 32.000 25.789 1 44.000 315.593 30 45.000 62.039 5 58.000 61.631 5 59.000 13.780 0 91.000 81.785 7 107.000 91.732 8 108.000 11.667 0 109.000 12.864 0 119.000 194.568 18 120.000 13.480 0 131.000 24.766 1 132.000 23.457 1 135.000 289.837 27 146.000 13.053 0 147.000 65.754 5 148.000 16.622 0 149.000 2896.695 288 159.000 72.360 6 160.000 33.593 2 161.000 62.050 5 163.000 100.741 9 165.000 1072.878 106 167.000 12.469 0 173.000 40.366 3 174.000 16.032 0 175.000 325.415 31 176.000 127.470 11 177.000 386.428 37 178.000 246.711 23 179.000 29.336 1 187.000 80.439 7 188.000 5790.554 578 189.000 6800.087 679 190.000 313.075 30 192.000 101.588 9 193.000 10.145 0 195.000 170.076 16 200.000 10.669 0 201.000 26.321 1 202.000 21.109 1 204.000 126.073 11 205.000 21.726 1 206.000 1304.396 129 207.000 91.715 8 209.000 29.640 1 217.000 70.982 6 218.000 22.246 1 219.000 22.251 1 223.000 182.432 17 225.000 127.436 11 226.000 11.019 0 233.000 20.812 1 235.000 336.217 32 237.000 187.980 17 238.000 10.476 0 239.000 29.072 1 245.000 64.354 5 247.000 820.003 81 248.000 24.202 1 249.000 56.341 4 251.000 26.429 1 253.000 176.706 16 261.000 24.446 1 263.000 186.470 17 265.000 491.819 48 266.000 26.257 1 267.000 300.579 29 268.000 14.170 0 269.000 19.715 0 275.000 1725.646 171 276.000 18.199 0 277.000 58.859 4 278.000 226.076 21 279.000 41.062 3 280.000 23.764 1 281.000 42.226 3 283.000 115.986 10 289.000 25.337 1 291.000 51.966 4 292.000 49.565 3 293.000 435.785 42 294.000 25.845 1 295.000 320.867 31 296.000 20.239 1 304.000 11.186 0 305.000 362.949 35 306.000 242.308 23 307.000 73.036 6 308.000 13.765 0 311.000 103.964 9 320.000 208.180 19 321.000 284.104 27 322.000 10.858 0 323.000 383.278 37 324.000 47.006 3 325.000 20.635 1 326.000 13.226 0 332.000 12.831 0 334.000 260.628 25 335.000 17.312 0 336.000 959.545 94 337.000 15.149 0 353.000 32.301 2 354.000 10000.000 999 //