MassBank Record: NGA02569



 Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA02569
RECORD_TITLE: Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids

CH$NAME: Cinchonidine CH$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$LINK: CAS 485-71-2 CH$LINK: PUBCHEM CID:91930 CH$LINK: INCHIKEY KMPWYEUPVWOPIM-PSWNHGHYSA-N
AC$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$SPLASH: splash10-0002-0090000000-b48a9edb1f685849de2d PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 294.3 0.22 0 294.4 1.44 1 294.5 5.11 5 294.6 11.18 11 294.7 20.01 19 294.8 33.2 33 294.9 51.81 51 295.0 73.04 72 295.1 90.75 90 295.2 100.0 99 295.3 98.95 98 295.4 86.28 86 295.5 61.91 61 295.6 31.97 31 295.7 7.83 7 295.8 0.0 0 //