ACCESSION: MSBNK-RIKEN-PR010099
RECORD_TITLE: Anthranilic acid; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Anthranilic acid
CH$NAME: Anthranilate
CH$NAME: 2-Aminobenzoate
CH$NAME: Vitamin L1
CH$NAME: o-Aminobenzoic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₇H₇NO₂
CH$EXACT_MASS: 137.04768
CH$SMILES: OC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
CH$LINK: CAS 118-92-3
CH$LINK: CHEBI 30754
CH$LINK: CHEMPDB BE2
CH$LINK: KEGG C00108
CH$LINK: NIKKAJI J2.912B
CH$LINK: PUBCHEM 3408
CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020094

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 1610.4
AC$CHROMATOGRAPHY: RETENTION_TIME 397.356 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C13H23NO2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 281.12673
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00xr-9650000000-e0611721f0bf7b5bb2f8
PK$NUM_PEAK: 147
PK$PEAK: m/z int. rel.int.
  60 9 9
  61 16 16
  62 5 5
  63 19 19
  64 25 25
  65 28 28
  66 10 10
  67 10 10
  69 2 2
  70 17 17
  71 7 7
  72 15 15
  73 999 999
  74 92 92
  75 123 123
  76 16 16
  77 41 41
  78 8 8
  79 19 19
  80 3 3
  81 2 2
  82 1 1
  83 4 4
  84 9 9
  85 4 4
  86 4 4
  87 4 4
  88 2 2
  89 13 13
  90 12 12
  91 75 75
  92 63 63
  93 12 12
  94 4 4
  95 6 6
  96 4 4
  97 3 3
  98 1 1
  99 1 1
  100 1 1
  101 2 2
  102 5 5
  103 11 11
  104 9 9
  105 22 22
  106 13 13
  107 5 5
  108 3 3
  109 2 2
  110 1 1
  111 1 1
  113 1 1
  115 12 12
  116 8 8
  117 21 21
  118 128 128
  119 50 50
  120 33 33
  121 14 14
  122 4 4
  123 3 3
  124 1 1
  126 5 5
  128 1 1
  129 1 1
  130 10 10
  131 21 21
  132 43 43
  133 95 95
  134 158 158
  135 33 33
  136 10 10
  137 2 2
  143 1 1
  144 1 1
  145 4 4
  146 14 14
  147 73 73
  148 46 46
  149 102 102
  150 39 39
  151 12 12
  152 3 3
  156 1 1
  158 3 3
  159 1 1
  160 5 5
  161 1 1
  162 7 7
  163 3 3
  164 6 6
  165 2 2
  172 1 1
  174 29 29
  175 5 5
  176 29 29
  177 5 5
  178 31 31
  179 7 7
  180 4 4
  181 1 1
  188 1 1
  190 3 3
  191 3 3
  192 56 56
  193 21 21
  194 14 14
  195 3 3
  196 1 1
  202 1 1
  204 2 2
  205 1 1
  206 2 2
  207 2 2
  208 39 39
  209 13 13
  210 15 15
  211 3 3
  212 1 1
  218 1 1
  220 3 3
  221 1 1
  222 4 4
  223 1 1
  224 4 4
  225 1 1
  232 49 49
  233 18 18
  234 8 8
  235 2 2
  236 1 1
  248 6 6
  249 3 3
  250 8 8
  251 2 2
  252 1 1
  264 8 8
  265 6 6
  266 575 575
  267 136 136
  268 54 54
  269 8 8
  270 1 1
  280 1 1
  281 31 31
  282 8 8
  283 3 3
//