ACCESSION: MSBNK-IPB_Halle-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$LINK: PUBCHEM CID:4970
CH$LINK: COMPTOX DTXSID90156282

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
//