ACCESSION: MSBNK-RIKEN_NPDepo-NGA02201
RECORD_TITLE: Vinervine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Monoterpenoid indole alkaloids, Strychnos alkaloids, Indole alkaloids

CH$NAME: Vinervine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₀H₂₂N₂O₃
CH$EXACT_MASS: 338.4099
CH$SMILES: C/C=C1\CN2CCC34C(=C(C(=O)OC)[C@H]1C[C@@H]23)Nc1c(O)cccc14
CH$IUPAC: InChI=1S/C20H22N2O3/c1-3-11-10-22-8-7-20-13-5-4-6-14(23)17(13)21-18(20)16(19(24)25-2)12(11)9-15(20)22/h3-6,12,15,21,23H,7-10H2,1-2H3/b11-3+/t12-,15+,20?/m0/s1
CH$LINK: CAS 1963-86-6
CH$LINK: INCHIKEY FAJVFJABOWWACZ-XMOBNUJDSA-N

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$SPLASH: splash10-0a4i-0009000000-afa5d1f15f56f787c219
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  306.3 0.36 0
  306.4 1.38 1
  306.5 4.28 4
  306.6 9.31 9
  306.7 16.61 16
  306.8 27.42 27
  306.9 43.08 43
  307.0 62.44 62
  307.1 81.72 81
  307.2 96.19 96
  307.3 100.0 99
  307.4 87.35 87
  307.5 59.03 58
  307.6 26.46 26
  307.7 3.77 3
//