MassBank Record: KO009203

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Protopine; LC-ESI-IT; MS3; m/z: 354/247; [M+H]+

Mass Spectrum
Chemical Structure
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ACCESSION: KO009203
RECORD_TITLE: Protopine; LC-ESI-IT; MS3; m/z: 354/247; [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 P070
COMMENT: [MS2] KO009201

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$LINK: COMPTOX DTXSID90156282
CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N
CH$LINK: KEGG C05189
CH$LINK: NIKKAJI J40.085H
CH$LINK: PUBCHEM SID:7594

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 1.00/0.80

MS$FOCUSED_ION: PRECURSOR_M/Z 354/247
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-014i-0190000000-f6dab1e9d3bf4b393dbb
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  177.0 1.4199999570846558 1.0
  189.1 341.3900146484375 171.0
  190.1 61.33000183105469 31.0
  191.1 50.33000183105469 25.0
  205.1 14.25 7.0
  206.1 5.25 3.0
  217.1 1990.3499755859375 999.0
  218.1 346.54998779296875 174.0
  219.1 102.81999969482422 52.0
  220.0 14.170000076293945 7.0
  228.9 2.75 1.0
  232.1 10.579999923706055 5.0
  233.1 14.670000076293945 7.0
  246.1 16.90999984741211 8.0
  247.1 104.56999969482422 52.0
  292.9 2.0 1.0
  320.1 5.25 3.0
  391.0 6.670000076293945 3.0
//