MassBank Record: NGA02201



 Vinervine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA02201
RECORD_TITLE: Vinervine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
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: 338.40994 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 //