ACCESSION: MSBNK-RIKEN-PR010167
RECORD_TITLE: Indole-3-acetaldehyde; GC-EI-TOF; MS; 1 TMS; BP:73
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$NAME: Indole-3-acetaldehyde
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₉NO
CH$EXACT_MASS: 159.06841
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CC=O
CH$IUPAC: InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2
CH$LINK: CAS 20095-27-6
CH$LINK: INCHIKEY WHOOUMGHGSPMGR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90180582

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$CHROMATOGRAPHY: RETENTION_INDEX 1906.8
AC$CHROMATOGRAPHY: RETENTION_TIME 497.83 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C13H17NOSi
MS$FOCUSED_ION: DERIVATIVE_MASS 231.10794
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9430000000-c2d7214f3eaf0a20e864
PK$NUM_PEAK: 123
PK$PEAK: m/z int. rel.int.
  60 4 4
  61 5 5
  62 7 7
  63 20 20
  64 5 5
  65 6 6
  66 3 3
  67 5 5
  70 8 8
  71 5 5
  72 15 15
  73 999 999
  74 101 101
  75 45 45
  76 39 39
  77 33 33
  78 8 8
  82 1 1
  83 2 2
  84 13 13
  85 3 3
  86 3 3
  87 4 4
  88 5 5
  89 39 39
  90 7 7
  91 7 7
  92 2 2
  93 3 3
  94 1 1
  98 2 2
  99 3 3
  100 6 6
  101 35 35
  102 68 68
  103 27 27
  104 6 6
  105 7 7
  106 1 1
  107 1 1
  113 2 2
  114 3 3
  115 20 20
  116 6 6
  117 10 10
  118 3 3
  119 6 6
  120 2 2
  126 1 1
  127 6 6
  128 44 44
  129 95 95
  130 73 73
  131 12 12
  132 4 4
  133 2 2
  134 3 3
  135 1 1
  136 1 1
  140 3 3
  141 3 3
  142 6 6
  143 8 8
  144 9 9
  145 30 30
  146 8 8
  147 1 1
  148 1 1
  153 1 1
  155 24 24
  156 29 29
  157 9 9
  158 3 3
  159 3 3
  160 7 7
  161 2 2
  167 1 1
  168 2 2
  169 5 5
  170 13 13
  171 4 4
  172 13 13
  173 3 3
  174 2 2
  180 1 1
  181 1 1
  182 2 2
  183 1 1
  184 6 6
  185 4 4
  186 46 46
  187 20 20
  188 10 10
  189 2 2
  195 1 1
  196 1 1
  197 3 3
  198 3 3
  199 3 3
  200 21 21
  201 20 20
  202 149 149
  203 33 33
  204 8 8
  205 1 1
  211 1 1
  212 3 3
  213 26 26
  214 6 6
  215 5 5
  216 1 1
  218 2 2
  227 23 23
  228 76 76
  229 54 54
  230 15 15
  231 3 3
  232 2 2
  245 2 2
  259 2 2
  260 91 91
  261 19 19
  262 5 5
//