ACCESSION: MSBNK-RIKEN-PR010110
RECORD_TITLE: Indole-3-carboxyaldehyde; 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$NAME: Indole-3-carboxyaldehyde
CH$NAME: Indole-3-carboxaldehyde
CH$NAME: Indole-3-carbaldehyde
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₉H₇NO
CH$EXACT_MASS: 145.05276
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C=O
CH$IUPAC: InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
CH$LINK: CAS 487-89-8
CH$LINK: KEGG C08493
CH$LINK: NIKKAJI J26.057F
CH$LINK: PUBCHEM 10686
CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060069

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$CHROMATOGRAPHY: RETENTION_INDEX 1892.5
AC$CHROMATOGRAPHY: RETENTION_TIME 459.826 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C12H15NOSi
MS$FOCUSED_ION: DERIVATIVE_MASS 217.09229
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9430000000-252f37d7921252e01ac0
PK$NUM_PEAK: 121
PK$PEAK: m/z int. rel.int.
  60 7 7
  61 8 8
  62 20 20
  63 24 24
  64 8 8
  65 7 7
  66 4 4
  67 5 5
  69 1 1
  70 7 7
  71 5 5
  72 10 10
  73 999 999
  74 89 89
  75 55 55
  76 14 14
  77 18 18
  78 5 5
  79 7 7
  80 1 1
  81 1 1
  83 3 3
  84 17 17
  85 4 4
  86 5 5
  87 10 10
  88 29 29
  89 72 72
  90 10 10
  91 16 16
  92 4 4
  93 3 3
  94 1 1
  95 1 1
  98 1 1
  99 1 1
  100 3 3
  101 20 20
  102 11 11
  103 28 28
  104 9 9
  105 11 11
  106 2 2
  107 1 1
  113 1 1
  114 30 30
  115 81 81
  116 37 37
  117 16 16
  118 4 4
  119 5 5
  120 2 2
  127 2 2
  128 14 14
  129 9 9
  130 44 44
  131 14 14
  132 11 11
  133 4 4
  134 3 3
  135 1 1
  140 1 1
  141 5 5
  142 41 41
  143 33 33
  144 17 17
  145 11 11
  146 17 17
  147 5 5
  148 2 2
  154 1 1
  155 3 3
  156 11 11
  157 4 4
  158 13 13
  159 4 4
  160 7 7
  161 2 2
  162 2 2
  168 1 1
  169 4 4
  170 8 8
  171 6 6
  172 10 10
  173 13 13
  174 12 12
  175 2 2
  176 1 1
  181 1 1
  182 1 1
  183 1 1
  184 5 5
  185 4 4
  186 15 15
  187 5 5
  188 22 22
  189 19 19
  190 4 4
  195 1 1
  197 2 2
  198 1 1
  199 8 8
  200 2 2
  201 2 2
  202 1 1
  204 31 31
  205 5 5
  206 1 1
  213 5 5
  214 16 16
  215 116 116
  216 32 32
  217 7 7
  218 1 1
  219 2 2
  231 1 1
  245 2 2
  246 245 245
  247 50 50
  248 13 13
  249 1 1
//