MassBank Record: NGA03031



 N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03031
RECORD_TITLE: N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-00xr-0910000000-50c7486ccf80e056076b PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 100.3 1.59 1 100.4 2.72 2 100.5 4.1 4 100.6 6.54 6 100.7 11.06 11 100.8 16.69 16 100.9 20.21 20 101.0 19.63 19 101.1 16.56 16 101.2 13.65 13 101.3 11.07 11 101.4 7.52 7 101.5 3.43 3 119.1 0.37 0 119.2 1.43 1 119.3 5.05 5 119.4 11.6 11 119.5 19.14 19 119.6 27.23 27 119.7 38.78 38 119.8 56.8 56 119.9 78.63 78 120.0 95.61 95 120.1 100.0 99 120.2 90.34 90 120.3 69.96 69 120.4 43.96 43 120.5 19.17 19 120.6 2.71 2 137.4 2.54 2 137.5 3.35 3 137.6 5.63 5 137.7 10.63 10 137.8 17.5 17 137.9 22.86 22 138.0 24.21 24 138.1 22.9 22 138.2 21.62 21 138.3 19.95 19 138.4 15.43 15 138.5 8.27 8 138.6 2.1 2 201.3 0.77 0 201.4 2.33 2 201.5 4.13 4 201.6 6.16 6 201.7 10.42 10 201.8 17.31 17 201.9 24.41 24 202.0 27.95 27 202.1 26.81 26 202.2 22.84 22 202.3 17.49 17 202.4 10.92 10 202.5 4.28 4 //