ACCESSION: MSBNK-RIKEN_NPDepo-CB000123
RECORD_TITLE: cotarnine; 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: Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids
CH$NAME: cotarnine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C12H14NO3+
CH$EXACT_MASS: 220.2503
CH$SMILES: C[O+]=C1C2=CN(C)CCC2=CC2=C1OCO2
CH$IUPAC: InChI=1S/C12H14NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5-6H,3-4,7H2,1-2H3/q+1
CH$LINK: CAS
82-54-2
CH$LINK: CHEMSPIDER
6459
CH$LINK: INCHIKEY
KGZAOSLMBZSSTE-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:160909
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$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$SPLASH: splash10-00xr-0290000000-b594c65d65b294854fca
PK$NUM_PEAK: 196
PK$PEAK: m/z int. rel.int.
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