ACCESSION: MSBNK-Kazusa-KZ000015
RECORD_TITLE: Anthranilic acid; GC-EI-TOF; MS; 2 TMS; BP:266
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01437_P000059

CH$NAME: Anthranilic acid
CH$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: KEGG C00108
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1764.0
AC$CHROMATOGRAPHY: RETENTION_TIME 820.762 sec

MS$FOCUSED_ION: BASE_PEAK 266
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-014i-1950000000-5595652a2e8f93679437
PK$NUM_PEAK: 167
PK$PEAK: m/z int. rel.int.
  82 5 5
  83 14 14
  84 26 26
  85 11 11
  86 13 13
  87 19 19
  88 9 9
  89 50 50
  90 41 41
  91 227 227
  92 183 183
  93 42 42
  94 14 14
  95 19 19
  96 11 11
  97 8 8
  98 5 5
  99 3 3
  100 6 6
  101 9 9
  102 23 23
  103 40 40
  104 32 32
  105 68 68
  106 43 43
  107 17 17
  108 9 9
  109 6 6
  110 4 4
  111 4 4
  112 1 1
  113 3 3
  114 2 2
  115 37 37
  116 24 24
  117 57 57
  118 285 285
  119 127 127
  120 76 76
  121 37 37
  122 13 13
  123 11 11
  124 3 3
  125 2 2
  126 11 11
  127 2 2
  128 4 4
  129 4 4
  130 26 26
  131 53 53
  132 121 121
  133 241 241
  134 457 457
  135 95 95
  136 32 32
  137 7 7
  138 2 2
  139 1 1
  140 1 1
  141 1 1
  142 1 1
  143 3 3
  144 5 5
  145 11 11
  146 36 36
  147 164 164
  148 113 113
  149 236 236
  150 92 92
  151 28 28
  152 9 9
  153 1 1
  154 1 1
  155 1 1
  156 4 4
  157 2 2
  158 9 9
  159 4 4
  160 15 15
  161 5 5
  162 19 19
  163 8 8
  164 15 15
  165 6 6
  166 2 2
  167 1 1
  170 1 1
  172 4 4
  173 1 1
  174 64 64
  175 12 12
  176 63 63
  177 11 11
  178 106 106
  179 24 24
  180 13 13
  181 4 4
  182 1 1
  183 1 1
  184 1 1
  186 1 1
  188 2 2
  189 1 1
  190 8 8
  191 7 7
  192 123 123
  193 57 57
  194 28 28
  195 6 6
  196 2 2
  202 4 4
  203 1 1
  204 6 6
  205 3 3
  206 6 6
  207 5 5
  208 88 88
  209 24 24
  210 35 35
  211 8 8
  212 3 3
  213 1 1
  214 1 1
  215 1 1
  216 1 1
  217 1 1
  218 2 2
  219 1 1
  220 7 7
  221 2 2
  222 8 8
  223 2 2
  224 8 8
  225 3 3
  226 1 1
  230 1 1
  231 2 2
  232 104 104
  233 37 37
  234 17 17
  235 4 4
  236 2 2
  237 1 1
  238 1 1
  239 1 1
  240 1 1
  241 1 1
  246 1 1
  247 1 1
  248 11 11
  249 7 7
  250 14 14
  251 5 5
  252 2 2
  262 1 1
  263 1 1
  264 15 15
  265 20 20
  266 999 999
  267 248 248
  268 98 98
  269 16 16
  270 3 3
  280 2 2
  281 52 52
  282 13 13
  283 5 5
//