ACCESSION: MSBNK-Keio_Univ-KO009212
RECORD_TITLE: Palmatine; LC-ESI-IT; MS3; m/z: 352/308; [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 1.20/0.90

MS$FOCUSED_ION: PRECURSOR_M/Z 352/308
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0006-0093000000-58a7595f6ab11832c2f2
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  247.2 46.42 20
  263.2 48.58 21
  264.1 269.14 114
  265.1 14.42 6
  275.1 6.41 3
  276.0 37.00 16
  278.0 10.17 4
  279.2 26.42 11
  280.1 22.92 10
  291.2 11.33 5
  292.2 2354.91 999
  293.2 940.41 399
  295.9 4.42 2
  300.2 1.08 1
  306.1 2.17 1
  307.2 66.99 28
  308.2 1506.14 639
  322.1 3.08 1
//