ACCESSION: MSBNK-Keio_Univ-KO009211
RECORD_TITLE: Palmatine; LC-ESI-IT; MS3; m/z: 352/337; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P071
COMMENT: [MS2] KO009210

CH$NAME: Palmatine
CH$NAME: 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₂NO₄⁺
CH$EXACT_MASS: 352.15488
CH$SMILES: COc(c4)c(OC)cc(c34)c(c1)[n+1](CC3)cc(c(OC)2)c(ccc(OC)2)1
CH$IUPAC: InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
CH$LINK: CAS 3486-67-7
CH$LINK: CHEBI 16096
CH$LINK: KEGG C05315
CH$LINK: NIKKAJI J12.970D
CH$LINK: PUBCHEM SID:7697
CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9048065

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 1.20/1.00

MS$FOCUSED_ION: PRECURSOR_M/Z 352/337
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0a4i-0009000000-aa9fb82ce79b1ed1206a
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  241.1 82.80 1
  263.0 206.49 1
  264.2 452.83 1
  274.2 303.30 1
  275.1 48.00 1
  276.2 127.89 1
  279.2 227.89 1
  280.1 195.21 1
  281.2 499.95 1
  290.1 93.48 1
  291.2 20372.02 27
  292.1 9896.38 13
  293.1 2705.38 4
  294.2 1024.47 1
  295.2 52.45 1
  303.2 283.49 1
  305.3 342.21 1
  307.2 6611.89 9
  308.2 757723.70 999
  309.3 2602.07 3
  310.2 145.21 1
  311.8 318.34 1
  313.4 165.09 1
  316.1 168.33 1
  318.1 3042.62 4
  319.2 2472.15 3
  320.2 77218.97 102
  321.2 19782.00 26
  322.1 10605.22 14
  323.2 529.69 1
  331.4 213.94 1
  334.2 5623.49 7
  335.4 56.40 1
  336.2 263073.53 347
  337.2 2615.42 3
  341.6 105.33 1
  344.0 346.61 1
  345.2 38.24 1
  352.2 116.77 1
  355.6 108.01 1
  385.7 73.52 1
//