ACCESSION: MSBNK-RIKEN_ReSpect-PM000605
RECORD_TITLE: Vindolinine; LC-ESI-QIT; MS2
DATE: 2006.04.24
AUTHORS: Zhou H, Tai Y, Sun C, & Pan Y
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2012 Plant Science Center, RIKEN
PUBLICATION: Zhou, H.; Tai, Y.; Sun, C.; Pan, Y. Rapid Identification of Vinca Alkaloids by Direct-Injection Electrospray Ionisation Tandem Mass Spectrometry and Confirmation by High-Performance Liquid Chromatography-Mass Spectrometry. Phytochemical Analysis 2005, 16 (5), 328–33. DOI:10.1002/pca.852
COMMENT: 728

CH$NAME: Vindolinine
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Bisindole CLASS3 Vindolinine
CH$FORMULA: C₂₁H₂₄N₂O₂
CH$EXACT_MASS: 336.435
CH$SMILES: COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]43
CH$IUPAC: InChI=1S/C21H24N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-8,13,15,18,22H,9-12H2,1-2H3/t13-,15+,18+,19+,20-,21-/m1/s1
CH$LINK: CAS 5980-02-9
CH$LINK: INCHIKEY JSLDLCGKZDUQSH-SBDPWIONSA-N
CH$LINK: PUBCHEM CID:24148538
SP$SAMPLE: Catharanthus roseus

AC$INSTRUMENT: Bruker Esquire3000plus(Bruker-Franzen Analytik, Bremen, Germany);Agilent (Palo Alto, CA, USA) model 1100 chro-matography system
AC$INSTRUMENT_TYPE: LC-ESI-QIT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.9V
AC$CHROMATOGRAPHY: SOLVENT MeOH

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 337

PK$SPLASH: splash10-00di-0009000000-f2d5af97aed35daef493
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  308.0 7.0 70
  320.0 100.0 999
  337.0 24.0 240
//