ACCESSION: MSBNK-Osaka_Univ-OUF00049
RECORD_TITLE: 3-Hydroxyanthranilic acid; GC-EI-TOF; MS; n TMS; RT:716.583 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: 3-Hydroxyanthranilic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₇H₇NO₃
CH$EXACT_MASS: 153.04259
CH$SMILES: OC(=O)c(c1)c(N)c(O)cc1
CH$IUPAC: InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
CH$LINK: CAS 548-93-6
CH$LINK: CHEBI 15793 36559
CH$LINK: CHEMSPIDER 84
CH$LINK: KEGG C00632
CH$LINK: PUBCHEM CID:86
CH$LINK: INCHIKEY WJXSWCUQABXPFS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40203290

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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1861.542
AC$CHROMATOGRAPHY: RETENTION_TIME 716.583 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0zfv-0945000000-e3389ab25b7133eb184d
PK$NUM_PEAK: 253
PK$PEAK: m/z int. rel.int.
  85 10 10
  86 12 12
  87 12 12
  88 8 8
  89 20 20
  90 12 12
  91 27 27
  92 11 11
  93 27 27
  94 9 9
  95 17 17
  96 5 5
  97 5 5
  98 7 7
  99 5 5
  100 8 8
  101 7 7
  102 11 11
  103 42 42
  104 37 37
  105 34 34
  106 48 48
  107 26 26
  108 13 13
  109 34 34
  110 11 11
  111 6 6
  112 1 1
  113 3 3
  114 4 4
  115 24 24
  116 18 18
  117 23 23
  118 16 16
  119 43 43
  120 44 44
  121 23 23
  122 12 12
  123 9 9
  124 5 5
  125 4 4
  126 1 1
  127 2 2
  128 5 5
  129 5 5
  130 47 47
  131 51 51
  132 36 36
  133 124 124
  134 59 59
  135 58 58
  136 149 149
  137 62 62
  138 17 17
  139 5 5
  140 1 1
  141 3 3
  142 2 2
  143 6 6
  144 10 10
  145 8 8
  146 16 16
  147 180 180
  148 83 83
  149 55 55
  150 45 45
  151 15 15
  152 6 6
  153 3 3
  154 2 2
  155 2 2
  156 2 2
  157 2 2
  158 7 7
  159 12 12
  160 18 18
  161 12 12
  162 37 37
  163 41 41
  164 151 151
  165 51 51
  166 22 22
  167 6 6
  168 3 3
  169 2 2
  170 4 4
  171 2 2
  172 8 8
  173 4 4
  174 20 20
  175 13 13
  176 121 121
  177 39 39
  178 48 48
  179 29 29
  180 13 13
  181 7 7
  182 4 4
  183 2 2
  184 3 3
  185 1 1
  186 3 3
  187 1 1
  188 8 8
  189 18 18
  190 74 74
  191 140 140
  192 615 615
  193 122 122
  194 51 51
  195 20 20
  196 9 9
  197 4 4
  198 2 2
  200 1 1
  202 9 9
  203 5 5
  204 18 18
  205 12 12
  206 45 45
  207 24 24
  208 28 28
  209 17 17
  210 8 8
  211 28 28
  212 8 8
  213 4 4
  214 1 1
  215 1 1
  216 3 3
  217 2 2
  218 17 17
  219 8 8
  220 39 39
  221 19 19
  222 124 124
  223 34 34
  224 23 23
  225 6 6
  226 2 2
  230 4 4
  231 3 3
  232 9 9
  233 7 7
  234 12 12
  235 7 7
  236 20 20
  237 8 8
  238 11 11
  239 6 6
  240 3 3
  241 2 2
  242 2 2
  244 1 1
  245 1 1
  246 10 10
  247 8 8
  248 262 262
  249 128 128
  250 63 63
  251 21 21
  252 11 11
  253 6 6
  254 4 4
  255 3 3
  256 3 3
  257 2 2
  258 3 3
  259 2 2
  260 3 3
  261 2 2
  262 3 3
  263 4 4
  264 99 99
  265 39 39
  266 83 83
  267 29 29
  268 11 11
  269 3 3
  270 1 1
  276 1 1
  277 2 2
  278 6 6
  279 5 5
  280 21 21
  281 57 57
  282 56 56
  283 25 25
  284 9 9
  285 2 2
  288 1 1
  290 1 1
  291 2 2
  292 3 3
  293 3 3
  294 3 3
  295 2 2
  296 7 7
  297 39 39
  298 19 19
  299 8 8
  300 3 3
  301 1 1
  302 1 1
  303 2 2
  304 3 3
  305 3 3
  306 4 4
  307 2 2
  308 3 3
  309 1 1
  310 2 2
  311 2 2
  312 2 2
  313 1 1
  315 1 1
  316 1 1
  317 1 1
  318 1 1
  319 2 2
  320 2 2
  321 2 2
  322 2 2
  323 1 1
  324 2 2
  325 1 1
  326 1 1
  327 1 1
  328 1 1
  329 1 1
  330 1 1
  331 1 1
  333 1 1
  337 3 3
  338 24 24
  339 22 22
  340 10 10
  341 3 3
  351 1 1
  352 12 12
  353 53 53
  354 999 999
  355 497 497
  356 213 213
  357 65 65
  358 16 16
  359 3 3
  360 1 1
  368 2 2
  369 22 22
  370 14 14
  371 6 6
  372 2 2
//