ACCESSION: MSBNK-RIKEN_NPDepo-CB000328
RECORD_TITLE: N-succinoylanthranilic acid; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Organic chemicals, Polycyclic compounds, Anthracenes

CH$NAME: N-succinoylanthranilic acid
CH$COMPOUND_CLASS: Polycyclic aromatic natural products
CH$FORMULA: C₁₁H₁₁NO₅
CH$EXACT_MASS: 237.214
CH$SMILES: O=C(O)CCC(O)=Nc1ccccc1C(=O)O
CH$IUPAC: InChI=1S/C11H11NO5/c13-9(5-6-10(14)15)12-8-4-2-1-3-7(8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17)
CH$LINK: CAS 5694-37-1
CH$LINK: CHEMSPIDER 669451 253286
CH$LINK: INCHIKEY OGPDRYVIHAFSNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70972381
CH$LINK: PUBCHEM CID:287263

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$SPLASH: splash10-01b9-0950000000-280daed3762d7d1025b4
PK$NUM_PEAK: 141
PK$PEAK: m/z int. rel.int.
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//