ACCESSION: MSBNK-Keio_Univ-KO009205
RECORD_TITLE: Protopine; LC-ESI-IT; MS3; m/z: 354/189; [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$LINK: KEGG C05189
CH$LINK: NIKKAJI J40.085H
CH$LINK: PUBCHEM SID:7594
CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90156282

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 1.00/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 354/189
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0a4i-0900000000-357b8aecf3d6ffc5d881
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  102.2 7.72 44
  131.0 14.00 80
  159.1 174.22 999
  160.0 12.61 72
  161.2 14.29 82
  171.8 8.55 49
  174.0 21.07 121
  189.1 13.46 77
  206.1 2.41 14
//