ACCESSION: MSBNK-RIKEN_NPDepo-NGA00074
RECORD_TITLE: Narcotine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids

CH$NAME: Narcotine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₂H₂₃NO₇
CH$EXACT_MASS: 413.4311
CH$SMILES: CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
CH$IUPAC: InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
CH$LINK: CAS 6035-40-1
CH$LINK: CHEMSPIDER 242139
CH$LINK: INCHIKEY AKNNEGZIBPJZJG-MSOLQXFVSA-N
CH$LINK: COMPTOX DTXSID4023385
CH$LINK: PUBCHEM CID:275196

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0229-0091500000-4de9801dd0ed1d47b2e4
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  219.2 1.03 1
  219.3 2.63 2
  219.4 5.46 5
  219.5 9.48 9
  219.6 16.25 16
  219.7 29.1 29
  219.8 49.43 49
  219.9 72.98 72
  220.0 91.78 91
  220.1 100.0 99
  220.2 96.51 96
  220.3 82.51 82
  220.4 60.09 60
  220.5 34.09 34
  220.6 12.19 12
  220.7 1.29 1
  352.6 2.09 2
  352.7 3.32 3
  352.8 5.7 5
  352.9 8.83 8
  353.0 11.58 11
  353.1 12.87 12
  353.2 12.36 12
  353.3 10.23 10
  353.4 6.94 6
  353.5 3.4 3
  413.3 1.46 1
  413.4 3.12 3
  413.5 5.15 5
  413.6 8.06 8
  413.7 13.61 13
  413.8 23.44 23
  413.9 36.73 36
  414.0 49.93 49
  414.1 59.18 59
  414.2 62.13 62
  414.3 57.43 57
  414.4 44.76 44
  414.5 26.92 26
  414.6 10.23 10
  414.7 0.59 0
//