MassBank Record: KZ000216



 Indole-3-carboxyaldehyde; GC-EI-TOF; MS; 1 TMS; BP:246 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000216
RECORD_TITLE: Indole-3-carboxyaldehyde; GC-EI-TOF; MS; 1 TMS; BP:246
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01533_P000141

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 2214.7 AC$CHROMATOGRAPHY: RETENTION_TIME 1005.96 sec
MS$FOCUSED_ION: BASE_PEAK 246 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00kk-2950000000-8901bc9a710fac996fbc PK$NUM_PEAK: 140 PK$PEAK: m/z int. rel.int. 82 4 4 83 20 20 84 96 96 85 21 21 86 34 34 87 75 75 88 190 190 89 413 413 90 62 62 91 94 94 92 24 24 93 18 18 94 8 8 95 4 4 96 2 2 97 1 1 98 7 7 99 9 9 100 19 19 101 114 114 102 64 64 103 154 154 104 55 55 105 59 59 106 11 11 107 7 7 108 3 3 109 1 1 110 1 1 111 2 2 112 3 3 113 11 11 114 219 219 115 441 441 116 198 198 117 90 90 118 26 26 119 25 25 120 9 9 121 4 4 122 1 1 123 1 1 126 2 2 127 11 11 128 86 86 129 52 52 130 215 215 131 73 73 132 51 51 133 23 23 134 16 16 135 4 4 136 1 1 139 1 1 140 6 6 141 57 57 142 221 221 143 160 160 144 89 89 145 54 54 146 86 86 147 26 26 148 9 9 149 2 2 150 1 1 153 1 1 154 8 8 155 18 18 156 58 58 157 24 24 158 60 60 159 21 21 160 36 36 161 9 9 162 9 9 163 2 2 164 1 1 167 2 2 168 6 6 169 25 25 170 42 42 171 32 32 172 47 47 173 63 63 174 52 52 175 10 10 176 6 6 177 1 1 181 8 8 182 8 8 183 7 7 184 23 23 185 21 21 186 68 68 187 22 22 188 97 97 189 88 88 190 17 17 191 3 3 195 8 8 196 2 2 197 12 12 198 5 5 199 54 54 200 16 16 201 11 11 202 5 5 203 5 5 204 128 128 205 25 25 206 7 7 209 1 1 211 2 2 212 2 2 213 24 24 214 139 139 215 503 503 216 157 157 217 36 36 218 6 6 219 8 8 220 3 3 221 1 1 228 1 1 229 1 1 230 2 2 231 5 5 232 2 2 233 1 1 234 1 1 235 1 1 236 1 1 237 1 1 238 1 1 244 1 1 245 27 27 246 999 999 247 199 199 248 52 52 249 6 6 //

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