ACCESSION: MSBNK-RIKEN_NPDepo-NGA03032
RECORD_TITLE: N-succinoylanthranilic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-0079-0920000000-1c05bcd3cb058e990aa1
PK$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
//