ACCESSION: MSBNK-Keio_Univ-KO003808
RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P070

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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 354
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0009000000-d474e4da85bfe6b8622e
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  82.500 14851.5 1
  109.700 14851.5 1
  138.200 74257.5 1
  147.400 29703.0 1
  154.200 59406.0 1
  161.900 34653.5 1
  163.100 64356.5 1
  165.500 19802.0 1
  181.000 64356.5 1
  182.100 178218.0 1
  188.500 54455.5 1
  188.900 39604.0 1
  190.100 29703.0 1
  192.500 336634.0 1
  208.300 6034659.5 23
  225.300 1737625.5 7
  231.000 24752.5 1
  234.000 49505.0 1
  235.100 54455.5 1
  236.200 64356.5 1
  247.000 9901.0 1
  257.800 39604.0 1
  275.300 34653.5 1
  290.600 79208.0 1
  292.600 64356.5 1
  293.300 14851.5 1
  294.500 64356.5 1
  301.400 34653.5 1
  304.200 133663.5 1
  322.500 69307.0 1
  336.800 44554.5 1
  337.600 2722775.0 10
  354.500 264782443.0 999
//