MassBank Record: NGA03032



 N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03032
RECORD_TITLE: N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-0079-0920000000-1c05bcd3cb058e990aa1 PK$NUM_PEAK: 82 PK$PEAK: m/z int. rel.int. 100.3 2.14 2 100.4 3.51 3 100.5 4.52 4 100.6 6.01 6 100.7 9.39 9 100.8 14.75 14 100.9 20.34 20 101.0 24.14 24 101.1 24.98 24 101.2 22.38 22 101.3 16.66 16 101.4 9.51 9 101.5 3.56 3 119.2 1.86 1 119.3 3.46 3 119.4 5.76 5 119.5 11.67 11 119.6 25.08 25 119.7 46.99 46 119.8 72.8 72 119.9 93.38 93 120.0 100.0 99 120.1 90.56 90 120.2 71.04 70 120.3 49.15 49 120.4 28.62 28 120.5 11.29 11 120.6 0.9 0 137.2 1.03 1 137.3 2.66 2 137.4 5.39 5 137.5 11.59 11 137.6 23.62 23 137.7 42.16 42 137.8 63.49 63 137.9 80.87 80 138.0 89.82 89 138.1 90.88 90 138.2 85.41 85 138.3 71.21 71 138.4 47.27 47 138.5 20.64 20 138.6 2.95 2 201.3 1.98 1 201.4 3.44 3 201.5 4.44 4 201.6 5.34 5 201.7 7.6 7 201.8 12.08 12 201.9 17.12 17 202.0 19.71 19 202.1 18.53 18 202.2 14.95 14 202.3 10.74 10 202.4 6.54 6 202.5 2.79 2 219.2 2.01 2 219.3 3.78 3 219.4 6.24 6 219.5 8.94 8 219.6 10.85 10 219.7 11.09 11 219.8 10.53 10 219.9 11.31 11 220.0 14.22 14 220.1 17.45 17 220.2 18.15 18 220.3 14.9 14 220.4 8.93 8 220.5 3.27 3 237.4 2.41 2 237.5 4.08 4 237.6 5.22 5 237.7 6.56 6 237.8 9.87 9 237.9 15.0 14 238.0 19.33 19 238.1 20.25 20 238.2 17.36 17 238.3 12.09 12 238.4 6.36 6 238.5 2.0 1 //