MassBank Record: KO003815

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Palmatine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003815
RECORD_TITLE: Palmatine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P071

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: COMPTOX DTXSID9048065
CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N
CH$LINK: KEGG C05315
CH$LINK: NIKKAJI J12.970D
CH$LINK: PUBCHEM SID:7697

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 353
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udr-0009000000-cf68bd6a710b7f4247da
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  72.9 44554.5 1.0
  106.3 14851.5 1.0
  117.9 24752.5 1.0
  123.7 14851.5 1.0
  149.4 49505.0 1.0
  181.1 39604.0 1.0
  263.1 14851.5 1.0
  279.5 44554.5 1.0
  291.3 460396.0 5.0
  292.5 99010.0 1.0
  293.2 79208.0 1.0
  294.6 128713.0 1.0
  307.6 386139.0 4.0
  308.4 1.10644E7 128.0
  319.4 99010.0 1.0
  320.2 1900990.0 22.0
  321.5 267327.0 3.0
  322.4 4237630.0 49.0
  334.7 39604.0 1.0
  336.0 277228.0 3.0
  336.4 1.24307E7 143.0
  337.5 3.27872E7 378.0
  352.6 8.66486E7 999.0
//