ACCESSION: MSBNK-RIKEN_NPDepo-NGA02571
RECORD_TITLE: Cinchonidine; 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: Alkaloids derived from anthranilic acid, Quinoline alkaloids

CH$NAME: Cinchonidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₉H₂₂N₂O
CH$EXACT_MASS: 294.4
CH$SMILES: C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O
CH$IUPAC: InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1
CH$LINK: CAS 485-71-2
CH$LINK: CHEMSPIDER 91930
CH$LINK: INCHIKEY KMPWYEUPVWOPIM-KODHJQJWSA-N
CH$LINK: PUBCHEM CID:101744

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$SPLASH: splash10-0002-0090000000-9affad1b0a86243be0ac
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  276.8 2.44 2
  276.9 3.76 3
  277.0 4.97 4
  277.1 5.79 5
  277.2 6.17 6
  277.3 6.04 6
  277.4 5.13 5
  277.5 3.43 3
  294.3 0.18 0
  294.4 1.3 1
  294.5 4.57 4
  294.6 10.89 10
  294.7 21.15 21
  294.8 36.22 36
  294.9 55.62 55
  295.0 75.86 75
  295.1 91.79 91
  295.2 100.0 99
  295.3 98.65 98
  295.4 85.18 85
  295.5 59.26 59
  295.6 28.5 28
  295.7 5.32 5
  295.8 0.0 0
//