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MassBank Record: MSBNK-Keio_Univ-KO003809

Protopine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: MSBNK-Keio_Univ-KO003809
RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:20 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 P070

CH$NAME: Protopine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H19NO5
CH$EXACT_MASS: 353.12632
CH$SMILES: CN(C5)Cc(c1CC(=O)c(c3)c(C5)cc(O4)c(OC4)3)c(O2)c(OC2)cc1
CH$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$LINK: CAS 130-86-9
CH$LINK: CHEBI 16415
CH$LINK: KEGG C05189
CH$LINK: NIKKAJI J40.085H
CH$LINK: PUBCHEM SID:7594
CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90156282

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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 354
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0009000000-c77daec49f175e0080d3
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  102.800 39604.0 1
  116.800 14851.5 1
  119.300 34653.5 1
  121.100 44554.5 1
  130.000 44554.5 1
  135.100 64356.5 1
  137.700 29703.0 1
  146.400 19802.0 1
  149.300 866337.5 5
  162.300 410891.5 3
  163.100 69307.0 1
  165.000 178218.0 1
  166.400 381188.5 2
  172.900 14851.5 1
  173.600 24752.5 1
  174.900 103960.5 1
  177.300 74257.5 1
  181.000 99010.0 1
  182.200 94059.5 1
  188.000 811882.0 5
  189.100 688119.5 4
  190.100 618812.5 4
  192.400 331683.5 2
  204.000 133663.5 1
  206.300 292079.5 2
  208.100 5806936.5 36
  218.400 24752.5 1
  225.000 594060.0 4
  231.200 14851.5 1
  236.000 49505.0 1
  247.700 99010.0 1
  253.000 19802.0 1
  265.600 49505.0 1
  275.200 217822.0 1
  283.700 59406.0 1
  290.600 24752.5 1
  304.800 69307.0 1
  318.500 29703.0 1
  320.200 24752.5 1
  323.600 158416.0 1
  324.500 29703.0 1
  324.700 9901.0 1
  336.600 480198.5 3
  354.600 160668477.5 999
//

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