ACCESSION: MSBNK-Kazusa-KZ000142
RECORD_TITLE: Indoleacetic acid; GC-EI-TOF; MS; 2 TMS; BP:202
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_03874_P000150

CH$NAME: Indole-3-acetic acid
CH$NAME: Indoleacetic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₉NO₂
CH$EXACT_MASS: 175.06333
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)O
CH$IUPAC: InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
CH$LINK: CAS 87-51-4
CH$LINK: KEGG C00954
CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020738

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 2242.6
AC$CHROMATOGRAPHY: RETENTION_TIME 1011.06 sec

MS$FOCUSED_ION: BASE_PEAK 202
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0udi-0691000000-de9ac4f748d50db109ea
PK$NUM_PEAK: 237
PK$PEAK: m/z int. rel.int.
  82 4 4
  88 5 5
  89 7 7
  90 2 2
  91 14 14
  92 1 1
  96 1 1
  97 3 3
  98 9 9
  99 7 7
  101 20 20
  102 59 59
  103 22 22
  104 10 10
  105 11 11
  107 3 3
  109 2 2
  113 4 4
  114 9 9
  115 20 20
  116 14 14
  117 17 17
  118 3 3
  119 8 8
  123 4 4
  125 4 4
  126 5 5
  128 34 34
  129 69 69
  130 55 55
  131 20 20
  132 7 7
  133 7 7
  134 9 9
  135 2 2
  137 1 1
  138 2 2
  140 4 4
  141 7 7
  142 3 3
  143 8 8
  144 14 14
  145 45 45
  146 11 11
  147 45 45
  148 2 2
  150 1 1
  151 4 4
  152 6 6
  153 8 8
  154 8 8
  155 1 1
  156 23 23
  157 13 13
  158 8 8
  159 13 13
  160 20 20
  161 9 9
  162 9 9
  163 8 8
  164 6 6
  165 11 11
  166 3 3
  167 5 5
  168 8 8
  169 12 12
  170 27 27
  171 5 5
  172 21 21
  173 5 5
  174 6 6
  175 7 7
  176 6 6
  177 7 7
  178 3 3
  179 3 3
  181 7 7
  182 10 10
  183 3 3
  184 16 16
  185 7 7
  186 65 65
  187 36 36
  188 10 10
  189 1 1
  190 3 3
  191 2 2
  192 5 5
  193 6 6
  194 1 1
  195 4 4
  197 1 1
  198 1 1
  199 7 7
  200 58 58
  201 20 20
  202 999 999
  203 180 180
  204 54 54
  205 10 10
  206 5 5
  207 2 2
  209 1 1
  210 3 3
  211 2 2
  213 8 8
  214 3 3
  215 5 5
  216 9 9
  217 5 5
  218 1 1
  219 3 3
  225 1 1
  226 3 3
  227 1 1
  228 4 4
  229 4 4
  230 5 5
  231 5 5
  233 1 1
  234 1 1
  237 2 2
  238 1 1
  240 3 3
  245 1 1
  248 3 3
  250 3 3
  255 2 2
  260 5 5
  272 3 3
  275 2 2
  276 17 17
  277 4 4
  281 4 4
  285 4 4
  287 2 2
  288 2 2
  289 3 3
  290 4 4
  293 3 3
  300 4 4
  302 4 4
  303 5 5
  304 14 14
  306 5 5
  309 1 1
  310 1 1
  318 7 7
  319 67 67
  320 14 14
  321 7 7
  322 4 4
  323 2 2
  327 1 1
  329 4 4
  330 1 1
  332 3 3
  334 2 2
  335 2 2
  337 3 3
  338 3 3
  340 3 3
  341 1 1
  347 9 9
  349 3 3
  350 1 1
  351 4 4
  361 1 1
  363 3 3
  364 4 4
  365 1 1
  366 3 3
  368 6 6
  371 3 3
  374 1 1
  380 6 6
  386 2 2
  387 5 5
  388 2 2
  393 3 3
  394 2 2
  397 4 4
  398 7 7
  399 1 1
  401 4 4
  403 3 3
  406 1 1
  408 1 1
  409 5 5
  410 3 3
  411 4 4
  412 3 3
  413 3 3
  414 2 2
  417 3 3
  418 2 2
  420 4 4
  427 2 2
  430 1 1
  431 3 3
  432 3 3
  433 4 4
  434 4 4
  435 2 2
  437 5 5
  439 1 1
  442 3 3
  443 3 3
  444 5 5
  447 4 4
  451 3 3
  453 5 5
  454 3 3
  456 4 4
  458 1 1
  459 3 3
  461 2 2
  462 2 2
  463 2 2
  464 5 5
  465 2 2
  466 1 1
  467 1 1
  468 2 2
  469 2 2
  470 4 4
  471 6 6
  472 4 4
  473 2 2
  483 1 1
  487 2 2
  489 2 2
  490 2 2
  491 1 1
  496 2 2
  498 1 1
  500 4 4
//