MassBank Record: KZ000142



 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: KZ000142
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_03874_P000150

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$CHROMATOGRAPHY: RETENTION_INDEX 2242.6 AC$CHROMATOGRAPHY: RETENTION_TIME 1011.06 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-0691000000-de9ac4f748d50db109ea PK$NUM_PEAK: 237 PK$PEAK: m/z int. rel.int. 82 4 4 88 5 5 89 7 7 90 2 2 91 14 14 92 1 1 96 1 1 97 3 3 98 9 9 99 7 7 101 20 20 102 59 59 103 22 22 104 10 10 105 11 11 107 3 3 109 2 2 113 4 4 114 9 9 115 20 20 116 14 14 117 17 17 118 3 3 119 8 8 123 4 4 125 4 4 126 5 5 128 34 34 129 69 69 130 55 55 131 20 20 132 7 7 133 7 7 134 9 9 135 2 2 137 1 1 138 2 2 140 4 4 141 7 7 142 3 3 143 8 8 144 14 14 145 45 45 146 11 11 147 45 45 148 2 2 150 1 1 151 4 4 152 6 6 153 8 8 154 8 8 155 1 1 156 23 23 157 13 13 158 8 8 159 13 13 160 20 20 161 9 9 162 9 9 163 8 8 164 6 6 165 11 11 166 3 3 167 5 5 168 8 8 169 12 12 170 27 27 171 5 5 172 21 21 173 5 5 174 6 6 175 7 7 176 6 6 177 7 7 178 3 3 179 3 3 181 7 7 182 10 10 183 3 3 184 16 16 185 7 7 186 65 65 187 36 36 188 10 10 189 1 1 190 3 3 191 2 2 192 5 5 193 6 6 194 1 1 195 4 4 197 1 1 198 1 1 199 7 7 200 58 58 201 20 20 202 999 999 203 180 180 204 54 54 205 10 10 206 5 5 207 2 2 209 1 1 210 3 3 211 2 2 213 8 8 214 3 3 215 5 5 216 9 9 217 5 5 218 1 1 219 3 3 225 1 1 226 3 3 227 1 1 228 4 4 229 4 4 230 5 5 231 5 5 233 1 1 234 1 1 237 2 2 238 1 1 240 3 3 245 1 1 248 3 3 250 3 3 255 2 2 260 5 5 272 3 3 275 2 2 276 17 17 277 4 4 281 4 4 285 4 4 287 2 2 288 2 2 289 3 3 290 4 4 293 3 3 300 4 4 302 4 4 303 5 5 304 14 14 306 5 5 309 1 1 310 1 1 318 7 7 319 67 67 320 14 14 321 7 7 322 4 4 323 2 2 327 1 1 329 4 4 330 1 1 332 3 3 334 2 2 335 2 2 337 3 3 338 3 3 340 3 3 341 1 1 347 9 9 349 3 3 350 1 1 351 4 4 361 1 1 363 3 3 364 4 4 365 1 1 366 3 3 368 6 6 371 3 3 374 1 1 380 6 6 386 2 2 387 5 5 388 2 2 393 3 3 394 2 2 397 4 4 398 7 7 399 1 1 401 4 4 403 3 3 406 1 1 408 1 1 409 5 5 410 3 3 411 4 4 412 3 3 413 3 3 414 2 2 417 3 3 418 2 2 420 4 4 427 2 2 430 1 1 431 3 3 432 3 3 433 4 4 434 4 4 435 2 2 437 5 5 439 1 1 442 3 3 443 3 3 444 5 5 447 4 4 451 3 3 453 5 5 454 3 3 456 4 4 458 1 1 459 3 3 461 2 2 462 2 2 463 2 2 464 5 5 465 2 2 466 1 1 467 1 1 468 2 2 469 2 2 470 4 4 471 6 6 472 4 4 473 2 2 483 1 1 487 2 2 489 2 2 490 2 2 491 1 1 496 2 2 498 1 1 500 4 4 //

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