ACCESSION: MSBNK-Kazusa-KZ000217
RECORD_TITLE: Indole-3-carboxyaldehyde; GC-EI-TOF; MS; 1 TMS; BP:246
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_01533_P000143

CH$NAME: Indole-3-carboxyaldehyde
CH$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$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N
CH$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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2260.8
AC$CHROMATOGRAPHY: RETENTION_TIME 1022.46 sec

MS$FOCUSED_ION: BASE_PEAK 246
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00kb-2960000000-0b154d6ce8924292e9ed
PK$NUM_PEAK: 142
PK$PEAK: m/z int. rel.int.
  82 3 3
  83 17 17
  84 83 83
  85 19 19
  86 31 31
  87 67 67
  88 163 163
  89 397 397
  90 58 58
  91 84 84
  92 22 22
  93 17 17
  94 8 8
  95 4 4
  96 2 2
  97 1 1
  98 6 6
  99 8 8
  100 17 17
  101 105 105
  102 57 57
  103 134 134
  104 48 48
  105 55 55
  106 10 10
  107 7 7
  108 3 3
  109 1 1
  110 1 1
  111 2 2
  112 3 3
  113 10 10
  114 204 204
  115 409 409
  116 177 177
  117 81 81
  118 24 24
  119 23 23
  120 9 9
  121 3 3
  122 1 1
  123 2 2
  126 2 2
  127 12 12
  128 79 79
  129 48 48
  130 193 193
  131 66 66
  132 46 46
  133 20 20
  134 14 14
  135 4 4
  136 1 1
  139 1 1
  140 6 6
  141 58 58
  142 206 206
  143 145 145
  144 76 76
  145 50 50
  146 80 80
  147 23 23
  148 8 8
  149 2 2
  150 1 1
  153 1 1
  154 8 8
  155 16 16
  156 56 56
  157 23 23
  158 58 58
  159 19 19
  160 32 32
  161 8 8
  162 8 8
  163 2 2
  164 1 1
  167 2 2
  168 6 6
  169 24 24
  170 41 41
  171 33 33
  172 51 51
  173 64 64
  174 42 42
  175 7 7
  176 5 5
  177 1 1
  181 8 8
  182 8 8
  183 6 6
  184 21 21
  185 22 22
  186 66 66
  187 29 29
  188 88 88
  189 78 78
  190 15 15
  191 3 3
  195 6 6
  196 2 2
  197 10 10
  198 5 5
  199 63 63
  200 20 20
  201 12 12
  202 5 5
  203 4 4
  204 108 108
  205 22 22
  206 6 6
  207 1 1
  209 1 1
  211 2 2
  212 2 2
  213 24 24
  214 162 162
  215 470 470
  216 144 144
  217 33 33
  218 6 6
  219 8 8
  220 3 3
  221 1 1
  227 1 1
  228 1 1
  229 1 1
  230 2 2
  231 4 4
  232 2 2
  233 1 1
  234 1 1
  235 1 1
  236 1 1
  237 1 1
  238 1 1
  244 1 1
  245 18 18
  246 999 999
  247 198 198
  248 51 51
  249 5 5
//