ACCESSION: MSBNK-RIKEN_NPDepo-NGA03029
RECORD_TITLE: N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-00xr-4900000000-d7884ac61fc3e5445f3c
PK$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
//