MassBank Record: NGA03030



 N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03030
RECORD_TITLE: N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
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: 237.21402 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: PUBCHEM CID:669451 253286 CH$LINK: INCHIKEY OGPDRYVIHAFSNL-UHFFFAOYSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-1910000000-fcbbd5f623275ac24737 PK$NUM_PEAK: 70 PK$PEAK: m/z int. rel.int. 54.5 1.83 1 54.6 3.05 3 54.7 4.5 4 54.8 6.07 6 54.9 7.3 7 55.0 7.38 7 55.1 6.04 6 55.2 3.98 3 72.5 2.07 2 72.6 3.64 3 72.7 5.56 5 72.8 7.62 7 72.9 9.4 9 73.0 10.6 10 73.1 11.3 11 73.2 11.31 11 73.3 9.7 9 73.4 6.18 6 73.5 2.31 2 100.5 3.78 3 100.6 6.34 6 100.7 12.12 12 100.8 20.03 20 100.9 27.11 27 101.0 30.86 30 101.1 30.53 30 101.2 26.37 26 101.3 19.06 19 101.4 10.47 10 101.5 3.52 3 119.0 1.46 1 119.1 2.6 2 119.2 4.96 4 119.3 8.67 8 119.4 12.2 12 119.5 16.5 16 119.6 25.85 25 119.7 43.45 43 119.8 66.35 66 119.9 86.88 86 120.0 98.69 98 120.1 100.0 99 120.2 91.87 91 120.3 75.34 75 120.4 51.93 51 120.5 26.43 26 120.6 6.97 6 120.7 0.07 0 173.4 2.37 2 173.5 3.34 3 173.6 4.3 4 173.7 5.38 5 173.8 6.24 6 173.9 6.63 6 174.0 6.99 6 174.1 7.5 7 174.2 7.21 7 174.3 5.28 5 174.4 2.49 2 201.5 1.7 1 201.6 3.35 3 201.7 6.28 6 201.8 12.0 11 201.9 20.7 20 202.0 28.51 28 202.1 30.35 30 202.2 24.5 24 202.3 14.35 14 202.4 5.25 5 202.5 0.53 0 //