MassBank Record: KO009206

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Protopine; LC-ESI-IT; MS3; m/z: 354/188; [M+H]+

Mass Spectrum
Chemical Structure
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ACCESSION: KO009206
RECORD_TITLE: Protopine; LC-ESI-IT; MS3; m/z: 354/188; [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 1.00/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 354/188
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0a4r-0900000000-af7c884fe55dbf0282e5
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  130.1 2.5799999237060547 22.0
  131.2 27.809999465942383 233.0
  147.1 6.170000076293945 52.0
  158.0 5.329999923706055 45.0
  159.1 119.22000122070312 999.0
  160.0 50.599998474121094 424.0
  164.0 8.90999984741211 75.0
  188.1 14.75 124.0
  189.1 50.470001220703125 423.0
  204.1 4.670000076293945 39.0
  205.0 10.0 84.0
//