ACCESSION: MSBNK-Keio_Univ-KO009204
RECORD_TITLE: Protopine; LC-ESI-IT; MS3; m/z: 354/206; [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 1.00/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 354/206
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0002-0920000000-0fec2e13ee0e816cee10
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  92.2 6.77 25
  105.1 0.75 3
  119.0 27.50 101
  147.0 21.33 78
  148.2 4.08 15
  149.0 271.73 999
  150.1 8.67 32
  158.9 5.24 19
  160.0 1.92 7
  164.1 5.00 18
  175.1 76.30 281
  176.0 16.25 60
  177.0 14.59 54
  178.1 11.83 43
  179.1 26.12 96
  181.1 2.09 8
  188.0 20.73 76
  189.2 11.25 41
  191.0 2.50 9
  207.1 107.11 394
  252.2 6.50 24
  286.0 6.74 25
  390.0 27.26 100
  392.3 1.58 6
//