MassBank Record: KZ000143



 Indoleacetic acid; GC-EI-TOF; MS; 2 TMS; BP:202 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000143
RECORD_TITLE: Indoleacetic acid; GC-EI-TOF; MS; 2 TMS; BP:202
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_03875_P000145

CH$NAME: Indole-3-acetic acid CH$NAME: Indoleacetic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H9NO2 CH$EXACT_MASS: 175.06333 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) CH$LINK: CAS 87-51-4 CH$LINK: KEGG C00954 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 2242.7 AC$CHROMATOGRAPHY: RETENTION_TIME 1011.11 sec
MS$FOCUSED_ION: BASE_PEAK 202 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udi-0591000000-9687f83d1372abe23c3c PK$NUM_PEAK: 174 PK$PEAK: m/z int. rel.int. 83 3 3 84 6 6 85 2 2 87 5 5 88 1 1 89 12 12 90 4 4 91 7 7 92 1 1 93 2 2 97 2 2 98 2 2 99 4 4 100 1 1 101 28 28 102 56 56 103 29 29 104 8 8 105 13 13 106 2 2 107 1 1 113 1 1 114 1 1 115 20 20 116 7 7 117 21 21 118 4 4 119 9 9 126 1 1 127 4 4 128 29 29 129 69 69 130 58 58 131 20 20 132 7 7 133 7 7 134 5 5 135 4 4 136 2 2 139 1 1 140 5 5 141 5 5 142 8 8 143 15 15 144 12 12 145 50 50 146 12 12 147 47 47 148 8 8 149 2 2 151 1 1 152 5 5 153 4 4 154 2 2 155 1 1 156 24 24 157 8 8 158 3 3 159 5 5 160 18 18 161 5 5 162 2 2 163 3 3 166 1 1 168 3 3 169 8 8 170 24 24 171 5 5 172 23 23 173 6 6 174 5 5 181 2 2 182 3 3 183 2 2 184 14 14 185 7 7 186 59 59 187 26 26 188 13 13 189 3 3 192 2 2 197 2 2 198 3 3 199 5 5 200 52 52 201 20 20 202 999 999 203 191 191 204 47 47 205 6 6 206 1 1 208 1 1 209 2 2 211 1 1 214 2 2 215 1 1 216 4 4 218 2 2 219 1 1 220 1 1 223 1 1 225 1 1 226 1 1 228 1 1 229 3 3 230 4 4 231 3 3 232 4 4 234 1 1 240 1 1 245 1 1 248 1 1 252 1 1 255 1 1 257 1 1 260 3 3 266 1 1 272 1 1 275 1 1 276 22 22 277 7 7 278 1 1 283 1 1 289 1 1 290 1 1 300 1 1 303 1 1 304 23 23 305 5 5 306 2 2 309 1 1 317 1 1 318 3 3 319 80 80 320 22 22 321 9 9 322 1 1 323 1 1 329 1 1 334 2 2 338 2 2 340 1 1 342 1 1 347 1 1 364 2 2 367 1 1 368 1 1 371 1 1 381 1 1 389 1 1 407 2 2 411 1 1 416 1 1 424 1 1 425 2 2 428 1 1 432 1 1 433 1 1 434 2 2 436 1 1 438 1 1 454 1 1 464 1 1 465 1 1 471 2 2 476 1 1 477 1 1 478 1 1 481 1 1 483 3 3 490 1 1 491 1 1 494 1 1 500 2 2 //

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