ACCESSION: MSBNK-Kazusa-KZ000143
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_03875_P000145

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 2242.7
AC$CHROMATOGRAPHY: RETENTION_TIME 1011.11 sec

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

PK$SPLASH: splash10-0udi-0591000000-9687f83d1372abe23c3c
PK$NUM_PEAK: 174
PK$PEAK: m/z int. rel.int.
  83 3 3
  84 6 6
  85 2 2
  87 5 5
  88 1 1
  89 12 12
  90 4 4
  91 7 7
  92 1 1
  93 2 2
  97 2 2
  98 2 2
  99 4 4
  100 1 1
  101 28 28
  102 56 56
  103 29 29
  104 8 8
  105 13 13
  106 2 2
  107 1 1
  113 1 1
  114 1 1
  115 20 20
  116 7 7
  117 21 21
  118 4 4
  119 9 9
  126 1 1
  127 4 4
  128 29 29
  129 69 69
  130 58 58
  131 20 20
  132 7 7
  133 7 7
  134 5 5
  135 4 4
  136 2 2
  139 1 1
  140 5 5
  141 5 5
  142 8 8
  143 15 15
  144 12 12
  145 50 50
  146 12 12
  147 47 47
  148 8 8
  149 2 2
  151 1 1
  152 5 5
  153 4 4
  154 2 2
  155 1 1
  156 24 24
  157 8 8
  158 3 3
  159 5 5
  160 18 18
  161 5 5
  162 2 2
  163 3 3
  166 1 1
  168 3 3
  169 8 8
  170 24 24
  171 5 5
  172 23 23
  173 6 6
  174 5 5
  181 2 2
  182 3 3
  183 2 2
  184 14 14
  185 7 7
  186 59 59
  187 26 26
  188 13 13
  189 3 3
  192 2 2
  197 2 2
  198 3 3
  199 5 5
  200 52 52
  201 20 20
  202 999 999
  203 191 191
  204 47 47
  205 6 6
  206 1 1
  208 1 1
  209 2 2
  211 1 1
  214 2 2
  215 1 1
  216 4 4
  218 2 2
  219 1 1
  220 1 1
  223 1 1
  225 1 1
  226 1 1
  228 1 1
  229 3 3
  230 4 4
  231 3 3
  232 4 4
  234 1 1
  240 1 1
  245 1 1
  248 1 1
  252 1 1
  255 1 1
  257 1 1
  260 3 3
  266 1 1
  272 1 1
  275 1 1
  276 22 22
  277 7 7
  278 1 1
  283 1 1
  289 1 1
  290 1 1
  300 1 1
  303 1 1
  304 23 23
  305 5 5
  306 2 2
  309 1 1
  317 1 1
  318 3 3
  319 80 80
  320 22 22
  321 9 9
  322 1 1
  323 1 1
  329 1 1
  334 2 2
  338 2 2
  340 1 1
  342 1 1
  347 1 1
  364 2 2
  367 1 1
  368 1 1
  371 1 1
  381 1 1
  389 1 1
  407 2 2
  411 1 1
  416 1 1
  424 1 1
  425 2 2
  428 1 1
  432 1 1
  433 1 1
  434 2 2
  436 1 1
  438 1 1
  454 1 1
  464 1 1
  465 1 1
  471 2 2
  476 1 1
  477 1 1
  478 1 1
  481 1 1
  483 3 3
  490 1 1
  491 1 1
  494 1 1
  500 2 2
//