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MassBank Record: MSBNK-Univ_Toyama-TY000107

Dehydrocorydaline; LC-ESI-ITTOF; MS; [M]+

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

ACCESSION: MSBNK-Univ_Toyama-TY000107
RECORD_TITLE: Dehydrocorydaline; LC-ESI-ITTOF; MS; [M]+
DATE: 2016.01.19 (Created 2010.06.24, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Dehydrocorydaline
CH$NAME: 5,6-Dihydro-2,3,9,10-tetramethoxy-13-methyl-dibenzo[a,g]quinolizinium
CH$NAME: 7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-13-methyl-berbinium
CH$NAME: Dehydro-corydaline
CH$NAME: 13-Methylpalmatine
CH$COMPOUND_CLASS: Natural Product; Alkaloid
CH$FORMULA: C22H24NO4+
CH$EXACT_MASS: 366.17053
CH$SMILES: COc(c4)c(OC)cc(c34)c([n+1](CC3)2)c(C)c(c1)c(c2)c(OC)c(OC)c1
CH$IUPAC: InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1
CH$LINK: CAS 30045-16-0
CH$LINK: PUBCHEM CID:34781
CH$LINK: INCHIKEY RFKQJTRWODZPHF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30904183

AC$INSTRUMENT: LCMS-IT-TOF
AC$INSTRUMENT_TYPE: LC-ESI-ITTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 17.776667 min

MS$FOCUSED_ION: BASE_PEAK 366.171800

PK$SPLASH: splash10-014i-0009000000-6e3d7c66f0d79e9925e6
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  292.091800 161699.000000 11
  306.100800 63517.000000 4
  308.121700 238796.000000 16
  320.094000 74735.000000 5
  321.092000 92188.000000 6
  322.143200 180271.000000 12
  334.136500 118337.000000 8
  335.103300 88569.000000 6
  336.124400 226713.000000 15
  337.129300 63517.000000 4
  350.132700 710456.000000 47
  351.140400 806052.000000 53
  352.149500 125682.000000 8
  366.171800 15231186.000000 999
  366.337400 263848.000000 17
  366.502900 313824.000000 21
  366.760500 203821.000000 13
  367.165500 3970096.000000 260
  368.178900 647330.000000 42
  380.168100 152770.000000 10
  412.160900 87682.000000 6
//

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