ACCESSION: MSBNK-RIKEN_NPDepo-NGA02637
RECORD_TITLE: Vincanidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C19H20N2O2
COMMENT: Bottle Name:Vincanidine
COMMENT: PRIME Parent Name:Vincanidine
COMMENT: PRIME in-house No.:V0312
COMMENT: SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids

CH$NAME: (11S,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo(9.5.2.0(1,9).0(2,7).0(14,17))octadeca-2(7),3,5,9-tetraene-10-carbaldehyde
CH$NAME: Vincanidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₉H₂₀N₂O₂
CH$EXACT_MASS: 308.3835
CH$SMILES: C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1c(O)cccc14
CH$IUPAC: InChI=1S/C19H20N2O2/c1-2-11-9-21-7-6-19-14-4-3-5-15(23)17(14)20-18(19)13(10-22)12(11)8-16(19)21/h2-5,10,12,16,20,23H,6-9H2,1H3/b11-2-/t12-,16-,19+/m0/s1
CH$LINK: CAS 1630-41-7
CH$LINK: INCHIKEY JDOFCMASVRMYJU-JYTRXFNOSA-N
CH$LINK: PUBCHEM CID:11870645

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$SPLASH: splash10-0a4i-0009000000-71a66e7e667cd67a52d0
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  308.3 0.4 0
  308.4 2.38 2
  308.5 6.53 6
  308.6 12.75 12
  308.7 21.63 21
  308.8 35.39 35
  308.9 55.11 55
  309.0 76.93 76
  309.1 93.5 93
  309.2 100.0 99
  309.3 95.83 95
  309.4 80.87 80
  309.5 55.76 55
  309.6 26.94 26
  309.7 5.17 5
  309.8 0.0 0
//