MassBank Record: NGA00498



 Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA00498
RECORD_TITLE: Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C19H22N2O
COMMENT: Bottle Name:Cinchonine
COMMENT: PRIME Parent Name:Cinchonine
COMMENT: PRIME in-house No.:V0325
COMMENT: SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids

CH$NAME: (1R)((5R)-5-vinylquinuclidin-2-yl)-4-quinolylmethan-1-ol CH$NAME: Cinchonan-9-ol CH$NAME: alpha-4-Quinolyl(5-vinyl-1-azabicyclo(2.2.2)oct-2-yl)methanol CH$NAME: Cinchonine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C19H22N2O CH$EXACT_MASS: 294.39999 CH$SMILES: C=C[C@H]1CN2CCC1CC2[C@H](O)c1ccnc2ccccc12 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 118-10-5 CH$LINK: PUBCHEM CID:746392 CH$LINK: INCHIKEY KMPWYEUPVWOPIM-KAGGUIQQSA-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: splash10-0002-0090000000-d4606d078585fe56a660 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 294.2 0.43 0 294.3 2.14 2 294.4 5.94 5 294.5 10.97 10 294.6 16.01 15 294.7 22.31 22 294.8 33.62 33 294.9 51.45 51 295.0 72.11 72 295.1 89.75 89 295.2 100.0 99 295.3 98.79 98 295.4 82.21 82 295.5 52.35 52 295.6 20.8 20 295.7 0.95 0 //