MassBank Record: KZ000144



 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: KZ000144
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_03876_P000163

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-1793100000-7c78003038436ec5a902 PK$NUM_PEAK: 361 PK$PEAK: m/z int. rel.int. 82 9 9 83 14 14 84 16 16 85 15 15 86 19 19 87 22 22 88 20 20 89 25 25 90 23 23 91 27 27 92 1 1 96 11 11 97 12 12 98 25 25 99 18 18 100 9 9 101 38 38 102 65 65 103 32 32 104 18 18 105 20 20 106 18 18 107 13 13 108 6 6 109 7 7 110 7 7 111 12 12 112 4 4 113 6 6 114 3 3 115 20 20 116 11 11 117 34 34 118 5 5 119 12 12 120 7 7 122 5 5 123 9 9 124 13 13 125 11 11 126 14 14 127 4 4 128 25 25 129 69 69 130 59 59 131 24 24 132 14 14 133 7 7 134 15 15 136 3 3 137 8 8 138 14 14 139 5 5 140 8 8 141 13 13 142 14 14 143 26 26 144 15 15 145 63 63 146 12 12 147 35 35 148 9 9 149 12 12 150 13 13 151 4 4 152 18 18 153 24 24 154 17 17 155 9 9 156 44 44 157 13 13 158 10 10 159 15 15 160 19 19 161 14 14 162 25 25 163 20 20 164 6 6 165 14 14 166 20 20 167 8 8 168 11 11 169 16 16 170 28 28 171 13 13 172 38 38 173 12 12 174 6 6 175 12 12 176 12 12 177 12 12 178 20 20 179 12 12 180 12 12 181 13 13 182 16 16 183 13 13 184 33 33 185 27 27 186 63 63 187 45 45 188 12 12 189 16 16 190 3 3 191 12 12 192 5 5 193 15 15 194 15 15 195 12 12 196 13 13 197 20 20 198 26 26 199 9 9 200 55 55 201 35 35 202 999 999 203 187 187 204 47 47 205 15 15 206 26 26 207 3 3 208 9 9 209 11 11 211 6 6 212 1 1 213 11 11 214 14 14 215 6 6 216 16 16 217 1 1 219 16 16 220 11 11 221 13 13 222 7 7 223 15 15 224 15 15 225 2 2 226 12 12 227 17 17 228 4 4 229 6 6 230 8 8 231 6 6 232 9 9 233 8 8 234 7 7 235 5 5 236 16 16 237 2 2 238 9 9 239 3 3 240 15 15 241 14 14 242 14 14 244 2 2 246 12 12 247 3 3 248 6 6 250 4 4 252 11 11 253 13 13 254 15 15 255 6 6 256 4 4 257 5 5 258 4 4 259 6 6 260 9 9 262 5 5 263 7 7 265 14 14 266 2 2 268 1 1 269 4 4 271 9 9 272 11 11 274 4 4 275 9 9 276 30 30 277 1 1 278 4 4 279 8 8 280 6 6 281 1 1 282 11 11 283 11 11 284 1 1 285 3 3 286 3 3 287 9 9 288 3 3 289 4 4 290 18 18 292 7 7 293 4 4 294 2 2 297 3 3 299 1 1 300 4 4 301 3 3 302 7 7 303 8 8 304 30 30 305 13 13 309 12 12 310 13 13 311 5 5 312 10 10 313 9 9 315 3 3 316 12 12 317 3 3 319 76 76 320 33 33 321 11 11 322 9 9 323 3 3 324 3 3 325 1 1 326 7 7 327 4 4 328 1 1 329 5 5 330 2 2 332 6 6 333 11 11 334 4 4 336 1 1 337 9 9 338 9 9 339 9 9 340 10 10 341 12 12 342 16 16 343 13 13 344 7 7 345 1 1 346 8 8 347 14 14 348 14 14 349 9 9 350 12 12 351 5 5 352 1 1 354 2 2 355 4 4 356 7 7 357 6 6 358 5 5 359 3 3 360 3 3 361 17 17 362 15 15 363 1 1 364 14 14 366 6 6 367 5 5 368 11 11 369 8 8 370 8 8 371 10 10 372 11 11 373 4 4 374 2 2 375 4 4 377 1 1 380 14 14 382 6 6 384 4 4 385 5 5 386 6 6 387 3 3 388 9 9 389 6 6 390 18 18 391 9 9 392 4 4 393 14 14 394 15 15 395 5 5 396 6 6 397 6 6 398 15 15 399 5 5 400 4 4 401 12 12 402 2 2 404 8 8 407 4 4 408 7 7 409 6 6 410 8 8 411 3 3 412 12 12 413 3 3 415 3 3 417 3 3 418 14 14 419 2 2 420 1 1 421 6 6 423 3 3 424 13 13 425 2 2 426 2 2 427 7 7 428 7 7 429 7 7 430 3 3 431 6 6 432 1 1 433 1 1 434 7 7 436 5 5 437 2 2 438 2 2 439 6 6 441 4 4 444 3 3 445 1 1 446 5 5 447 12 12 449 14 14 452 13 13 453 1 1 454 10 10 455 2 2 456 1 1 457 6 6 460 4 4 462 7 7 463 11 11 464 6 6 466 9 9 467 6 6 468 9 9 469 4 4 470 4 4 471 7 7 472 11 11 474 4 4 475 4 4 478 7 7 479 4 4 481 9 9 482 7 7 483 10 10 484 2 2 486 3 3 487 9 9 488 4 4 489 1 1 490 7 7 491 3 3 492 3 3 493 1 1 494 8 8 495 1 1 496 2 2 498 4 4 500 14 14 //

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