MassBank Record: PR010110



 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: 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$SMILES: O=Cc(c1)c(c2)c(ccc2)n1 CH$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$CHROMATOGRAPHY: RETENTION_INDEX 1892.5 AC$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 //