MassBank Record: NGA03029



 N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03029
RECORD_TITLE: N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-00xr-4900000000-d7884ac61fc3e5445f3c PK$NUM_PEAK: 79 PK$PEAK: m/z int. rel.int. 54.4 1.34 1 54.5 2.64 2 54.6 5.76 5 54.7 11.07 11 54.8 17.17 17 54.9 21.58 21 55.0 22.83 22 55.1 21.15 21 55.2 17.23 17 55.3 11.73 11 55.4 6.0 5 55.5 1.9 1 72.3 1.94 1 72.4 3.83 3 72.5 7.49 7 72.6 12.87 12 72.7 19.7 19 72.8 27.29 27 72.9 34.31 34 73.0 39.0 38 73.1 39.83 39 73.2 35.68 35 73.3 26.5 26 73.4 14.71 14 73.5 4.74 4 91.3 1.27 1 91.4 2.69 2 91.5 4.14 4 91.6 4.98 4 91.7 6.18 6 91.8 9.63 9 91.9 15.13 15 92.0 19.47 19 92.1 19.43 19 92.2 14.89 14 92.3 8.49 8 92.4 3.22 3 100.2 1.53 1 100.3 3.07 3 100.4 4.71 4 100.5 5.66 5 100.6 6.06 6 100.7 7.11 7 100.8 9.85 9 100.9 14.09 14 101.0 18.34 18 101.1 20.48 20 101.2 18.77 18 101.3 13.37 13 101.4 6.75 6 101.5 1.88 1 119.1 0.71 0 119.2 2.09 2 119.3 4.93 4 119.4 11.12 11 119.5 22.11 22 119.6 38.65 38 119.7 59.18 59 119.8 79.53 79 119.9 94.44 94 120.0 100.0 99 120.1 95.7 95 120.2 83.47 83 120.3 65.05 64 120.4 42.26 42 120.5 19.83 19 120.6 4.93 4 173.4 1.78 1 173.5 3.07 3 173.6 6.03 6 173.7 9.52 9 173.8 11.83 11 173.9 13.69 13 174.0 17.2 17 174.1 21.4 21 174.2 22.16 22 174.3 17.44 17 174.4 9.87 9 174.5 3.6 3 //