ACCESSION: MSBNK-RIKEN-PR010197
RECORD_TITLE: Indoleacetic acid; GC-EI-TOF; MS; 1 TMS; BP:130
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Indole-3-acetic acid
CH$NAME: Indole-3-acetate
CH$NAME: Indoleacetate
CH$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$LINK: CHEBI 16411
CH$LINK: KEGG C00954
CH$LINK: NIKKAJI J5.156J
CH$LINK: PUBCHEM 4205
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$CHROMATOGRAPHY: RETENTION_INDEX 1931.8
AC$CHROMATOGRAPHY: RETENTION_TIME 501.922 sec

MS$FOCUSED_ION: BASE_PEAK 130
MS$FOCUSED_ION: DERIVATIVE_FORM C13H17NO2Si
MS$FOCUSED_ION: DERIVATIVE_MASS 247.10286
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00ai-7910000000-4aa7b8244f32048c76bc
PK$NUM_PEAK: 182
PK$PEAK: m/z int. rel.int.
  60 16 16
  61 46 46
  62 18 18
  63 39 39
  64 10 10
  65 22 22
  66 1 1
  70 4 4
  71 4 4
  72 13 13
  73 648 648
  74 103 103
  75 270 270
  76 87 87
  77 228 228
  78 29 29
  79 17 17
  83 1 1
  84 3 3
  85 3 3
  86 3 3
  87 7 7
  88 4 4
  89 13 13
  90 3 3
  91 5 5
  92 1 1
  93 1 1
  94 2 2
  95 1 1
  97 2 2
  98 4 4
  99 3 3
  100 4 4
  101 43 43
  102 139 139
  103 131 131
  104 17 17
  105 2 2
  106 1 1
  107 1 1
  111 1 1
  112 1 1
  113 1 1
  114 3 3
  115 7 7
  116 23 23
  117 12 12
  118 2 2
  119 1 1
  120 1 1
  121 1 1
  127 4 4
  128 83 83
  129 150 150
  130 999 999
  131 106 106
  132 9 9
  133 1 1
  134 2 2
  136 1 1
  139 1 1
  141 2 2
  142 2 2
  143 4 4
  144 11 11
  145 6 6
  146 3 3
  150 1 1
  153 1 1
  154 1 1
  155 1 1
  156 4 4
  157 18 18
  158 4 4
  159 2 2
  160 6 6
  161 2 2
  162 2 2
  163 1 1
  165 1 1
  167 1 1
  169 1 1
  170 2 2
  171 1 1
  172 5 5
  173 2 2
  174 2 2
  175 1 1
  176 6 6
  177 1 1
  178 1 1
  179 1 1
  180 1 1
  181 1 1
  183 1 1
  184 2 2
  185 2 2
  186 19 19
  187 7 7
  188 44 44
  189 8 8
  190 4 4
  191 1 1
  193 1 1
  196 1 1
  197 1 1
  199 1 1
  200 1 1
  201 1 1
  202 15 15
  203 38 38
  204 25 25
  205 5 5
  206 1 1
  208 1 1
  211 1 1
  212 1 1
  213 1 1
  214 1 1
  216 1 1
  217 1 1
  218 1 1
  220 1 1
  231 1 1
  232 41 41
  233 7 7
  234 1 1
  235 1 1
  243 1 1
  246 1 1
  247 110 110
  248 23 23
  249 7 7
  250 1 1
  254 1 1
  268 1 1
  280 1 1
  282 1 1
  287 1 1
  293 1 1
  298 1 1
  303 1 1
  308 1 1
  313 1 1
  316 1 1
  327 1 1
  334 1 1
  335 1 1
  339 1 1
  347 1 1
  354 1 1
  375 1 1
  376 1 1
  385 1 1
  392 1 1
  445 1 1
  450 1 1
  468 1 1
  471 1 1
  505 1 1
  522 1 1
  538 1 1
  545 1 1
  550 1 1
  556 1 1
  559 1 1
  561 1 1
  571 1 1
  574 1 1
  579 1 1
  595 1 1
  598 1 1
  599 1 1
  635 1 1
  651 1 1
  654 1 1
  664 1 1
  665 1 1
  699 1 1
  750 1 1
  758 1 1
//