ACCESSION: MSBNK-RIKEN_NPDepo-CB000018
RECORD_TITLE: Cinchonidine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
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: 294.4
CH$SMILES: C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O
CH$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: CHEMSPIDER
91930
CH$LINK: INCHIKEY
KMPWYEUPVWOPIM-KODHJQJWSA-N
CH$LINK: PUBCHEM
CID:101744
AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0005-0960000000-0a34f221e0d2bd9e925e
PK$NUM_PEAK: 242
PK$PEAK: m/z int. rel.int.
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