MassBank Record: PR010111



 Indole-3-carboxyaldehyde; GC-EI-TOF; MS; 1 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010111
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$SMILES: O=Cc(c1)c(c2)c(ccc2)n1 CH$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
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$CHROMATOGRAPHY: RETENTION_INDEX 1934.5 AC$CHROMATOGRAPHY: RETENTION_TIME 468.307 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-9430000000-868873ec5dc494bef752 PK$NUM_PEAK: 120 PK$PEAK: m/z int. rel.int. 60 6 6 61 7 7 62 19 19 63 24 24 64 8 8 65 7 7 66 5 5 67 5 5 69 1 1 70 8 8 71 4 4 72 10 10 73 999 999 74 90 90 75 55 55 76 13 13 77 18 18 78 5 5 79 5 5 80 1 1 83 3 3 84 17 17 85 3 3 86 5 5 87 10 10 88 29 29 89 80 80 90 11 11 91 16 16 92 4 4 93 3 3 94 1 1 98 1 1 99 1 1 100 3 3 101 21 21 102 11 11 103 28 28 104 10 10 105 12 12 106 2 2 107 1 1 113 1 1 114 32 32 115 85 85 116 38 38 117 17 17 118 5 5 119 5 5 120 2 2 127 2 2 128 16 16 129 10 10 130 44 44 131 15 15 132 11 11 133 4 4 134 3 3 135 1 1 140 1 1 141 6 6 142 42 42 143 33 33 144 17 17 145 11 11 146 17 17 147 5 5 148 2 2 154 1 1 155 3 3 156 12 12 157 4 4 158 14 14 159 4 4 160 7 7 161 2 2 162 2 2 168 1 1 169 4 4 170 9 9 171 6 6 172 12 12 173 15 15 174 11 11 175 1 1 176 1 1 181 1 1 182 1 1 183 1 1 184 4 4 185 5 5 186 17 17 187 7 7 188 23 23 189 20 20 190 4 4 195 1 1 197 2 2 198 1 1 199 11 11 200 3 3 201 2 2 202 1 1 203 1 1 204 29 29 205 5 5 206 1 1 213 5 5 214 22 22 215 122 122 216 33 33 217 8 8 218 1 1 219 2 2 231 1 1 245 2 2 246 263 263 247 53 53 248 14 14 249 1 1 //