MassBank Record: MSBNK-RIKEN_NPDepo-NGA03032
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
//
system version 2.2.8-SNAPSHOT