ACCESSION: MSBNK-Keio_Univ-KO009202
RECORD_TITLE: Protopine; LC-ESI-IT; MS3; m/z: 354/275; [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 1.00/0.80

MS$FOCUSED_ION: PRECURSOR_M/Z 354/275
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0002-0090000000-32b3ea9a967c5fb8274f
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  56.0 9.23 1
  170.8 6.77 1
  189.1 162.38 15
  190.1 37.31 3
  191.2 6.31 1
  201.1 5.62 1
  201.9 4.00 1
  205.0 20.31 2
  205.9 2.31 1
  217.1 800.52 73
  218.1 95.15 9
  219.0 50.23 5
  220.1 15.85 1
  229.1 1.46 1
  233.0 14.69 1
  233.8 4.46 1
  244.3 8.54 1
  245.1 532.52 48
  246.1 32.92 3
  247.1 10975.81 999
  248.1 1184.34 108
  259.0 19.08 2
  261.1 2.08 1
  274.1 36.77 3
  275.1 782.82 71
  276.1 14.23 1
  361.6 1.85 1
  391.0 5.15 1
  391.6 8.46 1
  392.4 5.54 1
//