ACCESSION: MSBNK-RIKEN_NPDepo-CB000116
RECORD_TITLE: Narcotine; 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, Morphine alkaloids
CH$NAME: Narcotine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C22H23NO7
CH$EXACT_MASS: 413.4311
CH$SMILES: CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
CH$IUPAC: InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
CH$LINK: CAS
6035-40-1
CH$LINK: CHEMSPIDER
242139
CH$LINK: INCHIKEY
AKNNEGZIBPJZJG-MSOLQXFVSA-N
CH$LINK: COMPTOX
DTXSID4023385
CH$LINK: PUBCHEM
CID:275196
AC$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$SPLASH: splash10-03di-0041900000-6f01e48b523dc9a296cd
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
178.6000 393428.0625 39
178.7000 366048.3125 36
178.8000 309110.9688 31
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416.7000 216704.3281 21
416.8000 236928.0313 23
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