ACCESSION: MSBNK-RIKEN-PR010168
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$CHROMATOGRAPHY: RETENTION_INDEX 1921.8
AC$CHROMATOGRAPHY: RETENTION_TIME 500.833 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$SPLASH: splash10-00di-9430000000-75194e386ef16f3f47b2
PK$NUM_PEAK: 123
PK$PEAK: m/z int. rel.int.
  60 5 5
  61 6 6
  62 6 6
  63 19 19
  64 4 4
  65 5 5
  66 4 4
  67 5 5
  70 7 7
  71 5 5
  72 15 15
  73 999 999
  74 106 106
  75 45 45
  76 37 37
  77 32 32
  78 4 4
  79 2 2
  83 2 2
  84 12 12
  85 2 2
  86 3 3
  87 7 7
  88 5 5
  89 50 50
  90 7 7
  91 7 7
  92 2 2
  93 2 2
  94 2 2
  97 1 1
  98 2 2
  99 2 2
  100 6 6
  101 32 32
  102 63 63
  103 25 25
  104 5 5
  105 7 7
  106 2 2
  107 1 1
  113 2 2
  114 4 4
  115 18 18
  116 5 5
  117 10 10
  118 2 2
  119 6 6
  120 1 1
  121 1 1
  126 1 1
  127 5 5
  128 40 40
  129 78 78
  130 61 61
  131 9 9
  132 4 4
  133 1 1
  134 2 2
  136 1 1
  140 3 3
  141 3 3
  142 5 5
  143 9 9
  144 9 9
  145 28 28
  146 9 9
  151 1 1
  152 1 1
  153 1 1
  154 3 3
  155 23 23
  156 24 24
  157 7 7
  158 2 2
  159 4 4
  160 7 7
  161 1 1
  167 1 1
  168 1 1
  169 5 5
  170 13 13
  171 4 4
  172 10 10
  173 2 2
  174 2 2
  175 1 1
  182 2 2
  183 1 1
  184 6 6
  185 4 4
  186 51 51
  187 15 15
  188 6 6
  189 1 1
  196 1 1
  197 2 2
  198 3 3
  199 3 3
  200 25 25
  201 21 21
  202 152 152
  203 29 29
  204 8 8
  205 1 1
  211 2 2
  212 3 3
  213 23 23
  214 6 6
  215 4 4
  216 1 1
  218 5 5
  219 1 1
  227 25 25
  228 78 78
  229 53 53
  230 12 12
  231 2 2
  232 1 1
  259 1 1
  260 92 92
  261 18 18
  262 5 5
//