ACCESSION: MSBNK-RIKEN_NPDepo-CB000009
RECORD_TITLE: Skimmianine; 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$NAME: Skimmianine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C14H13NO4
CH$EXACT_MASS: 259.264
CH$SMILES: COc1ccc2c(OC)c3ccoc3nc2c1OC
CH$IUPAC: InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3
CH$LINK: CAS
83-95-4
CH$LINK: CHEMSPIDER
6502
CH$LINK: INCHIKEY
SLSIBLKBHNKZTB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90232116
CH$LINK: PUBCHEM
CID:6760
AC$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$SPLASH: splash10-0bt9-0090000000-cc0821424945ceafe234
PK$NUM_PEAK: 167
PK$PEAK: m/z int. rel.int.
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267.5000 270754.5938 21
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