ACCESSION: MSBNK-RIKEN_NPDepo-NGA03031
RECORD_TITLE: N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$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
//