ACCESSION: MSBNK-Osaka_Univ-OUF00074
RECORD_TITLE: 5-Hydroxyanthranillic acid; GC-EI-TOF; MS; n TMS; RT:713.572 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$NAME: 5-Hydroxyanthranillic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₇H₇NO₃
CH$EXACT_MASS: 153.04259
CH$SMILES: Oc(c1)cc(C(O)=O)c(N)c1
CH$IUPAC: InChI=1S/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)
CH$LINK: CAS 394-31-0
CH$LINK: CHEMSPIDER 144289
CH$LINK: PUBCHEM CID:164592
CH$LINK: INCHIKEY HYNQTSZBTIOFKH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70192587

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$CHROMATOGRAPHY: RETENTION_INDEX 1854.287
AC$CHROMATOGRAPHY: RETENTION_TIME 713.572 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0zfr-0947000000-f99febe2e0a620528921
PK$NUM_PEAK: 249
PK$PEAK: m/z int. rel.int.
  85 15 15
  86 9 9
  87 12 12
  88 5 5
  89 21 21
  90 12 12
  91 27 27
  92 8 8
  93 18 18
  94 9 9
  95 16 16
  96 10 10
  97 11 11
  98 7 7
  99 8 8
  100 9 9
  101 6 6
  102 11 11
  103 36 36
  104 27 27
  105 41 41
  106 37 37
  107 18 18
  108 9 9
  109 22 22
  110 11 11
  111 8 8
  112 3 3
  113 4 4
  114 2 2
  115 23 23
  116 28 28
  117 32 32
  118 21 21
  119 37 37
  120 24 24
  121 25 25
  122 10 10
  123 6 6
  124 5 5
  125 3 3
  126 4 4
  127 4 4
  128 6 6
  129 7 7
  130 48 48
  131 61 61
  132 52 52
  133 144 144
  134 74 74
  135 44 44
  136 36 36
  137 28 28
  138 7 7
  139 4 4
  140 3 3
  141 7 7
  142 4 4
  143 11 11
  144 9 9
  145 10 10
  146 23 23
  147 251 251
  148 80 80
  149 92 92
  150 41 41
  151 20 20
  152 10 10
  153 5 5
  154 3 3
  155 3 3
  156 3 3
  157 7 7
  158 6 6
  159 5 5
  160 19 19
  161 11 11
  162 50 50
  163 36 36
  164 38 38
  165 19 19
  166 10 10
  167 6 6
  168 4 4
  169 4 4
  170 6 6
  171 2 2
  172 4 4
  173 2 2
  174 7 7
  175 3 3
  176 18 18
  177 20 20
  178 26 26
  179 45 45
  180 25 25
  181 11 11
  182 5 5
  183 2 2
  184 3 3
  185 1 1
  186 3 3
  187 1 1
  188 7 7
  189 7 7
  190 36 36
  191 18 18
  192 27 27
  193 21 21
  194 19 19
  195 13 13
  196 7 7
  197 3 3
  198 2 2
  199 1 1
  200 1 1
  201 1 1
  202 5 5
  203 2 2
  204 10 10
  205 9 9
  206 39 39
  207 64 64
  208 40 40
  209 16 16
  210 10 10
  211 4 4
  212 2 2
  213 1 1
  215 1 1
  216 2 2
  217 1 1
  218 10 10
  219 6 6
  220 23 23
  221 16 16
  222 109 109
  223 33 33
  224 19 19
  225 5 5
  226 2 2
  227 1 1
  228 1 1
  230 1 1
  231 1 1
  232 6 6
  233 4 4
  234 11 11
  235 7 7
  236 49 49
  237 21 21
  238 33 33
  239 11 11
  240 5 5
  241 1 1
  244 1 1
  245 1 1
  246 6 6
  247 3 3
  248 13 13
  249 6 6
  250 15 15
  251 10 10
  252 8 8
  253 7 7
  254 3 3
  255 1 1
  258 1 1
  260 1 1
  261 1 1
  262 10 10
  263 6 6
  264 20 20
  265 9 9
  266 69 69
  267 21 21
  268 9 9
  269 3 3
  270 1 1
  271 1 1
  276 1 1
  277 1 1
  278 5 5
  279 5 5
  280 33 33
  281 42 42
  282 23 23
  283 8 8
  284 3 3
  285 1 1
  290 1 1
  291 1 1
  292 2 2
  293 2 2
  294 4 4
  295 3 3
  296 27 27
  297 37 37
  298 16 16
  299 7 7
  300 2 2
  304 2 2
  305 1 1
  306 2 2
  307 2 2
  308 2 2
  309 1 1
  310 5 5
  311 3 3
  312 4 4
  313 3 3
  314 3 3
  315 1 1
  320 7 7
  321 6 6
  322 5 5
  323 2 2
  324 3 3
  325 2 2
  326 1 1
  327 1 1
  336 1 1
  337 2 2
  338 6 6
  339 4 4
  340 2 2
  341 1 1
  347 1 1
  350 1 1
  351 1 1
  352 7 7
  353 51 51
  354 999 999
  355 375 375
  356 172 172
  357 43 43
  358 11 11
  359 3 3
  360 1 1
  361 1 1
  362 1 1
  363 1 1
  364 1 1
  368 6 6
  369 70 70
  370 29 29
  371 13 13
  372 4 4
  373 1 1
//