MassBank Record: KZ000217



 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: KZ000217
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_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 //

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