ACCESSION: MSBNK-Keio_Univ-KO009207
RECORD_TITLE: Protopine; LC-ESI-IT; MS3; m/z: 354/149; [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 1.00/0.45

MS$FOCUSED_ION: PRECURSOR_M/Z 354/149
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0gbd-1900000000-3cf47d3dbc349316a1ce
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  91.1 406.19 509
  92.1 4.17 5
  93.2 1.25 2
  109.0 6.58 8
  119.0 797.13 999
  120.0 11.50 14
  121.0 22.83 29
  132.1 14.76 18
  137.0 19.50 24
  148.0 7.08 9
  149.1 526.64 660
  150.0 472.99 593
  159.1 19.08 24
  172.4 4.91 6
  180.0 14.59 18
  190.1 6.16 8
  264.9 2.58 3
  270.0 1.58 2
  390.4 44.65 56
  391.2 62.50 78
  392.3 19.42 24
  393.1 2.00 3
//