MassBank Record: KZ000259



 Palmitic acid; GC-EI-TOF; MS; 1 TMS; BP:117 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000259
RECORD_TITLE: Palmitic acid; GC-EI-TOF; MS; 1 TMS; BP:117
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_01636_P000035

CH$NAME: Palmitic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C16H32O2 CH$EXACT_MASS: 256.24023 CH$SMILES: CCCCCCCCCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) CH$LINK: CAS 57-10-3 CH$LINK: KEGG C00249 CH$LINK: INCHIKEY IPCSVZSSVZVIGE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021602
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 2092.4 AC$CHROMATOGRAPHY: RETENTION_TIME 956.462 sec
MS$FOCUSED_ION: BASE_PEAK 117 MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-014i-0901000000-51ee83f9462d25fa4045 PK$NUM_PEAK: 315 PK$PEAK: m/z int. rel.int. 82 1 1 83 48 48 84 18 18 85 18 18 86 14 14 89 7 7 90 5 5 91 1 1 92 1 1 93 9 9 94 2 2 95 47 47 96 4 4 97 37 37 98 35 35 99 23 23 100 3 3 103 2 2 105 34 34 106 9 9 107 14 14 108 2 2 109 13 13 111 17 17 112 11 11 113 6 6 114 3 3 115 1 1 116 59 59 117 999 999 118 99 99 119 41 41 120 4 4 121 4 4 122 2 2 123 8 8 124 3 3 125 6 6 126 5 5 128 3 3 129 443 443 130 53 53 131 146 146 132 334 334 133 68 68 134 18 18 135 7 7 136 2 2 137 2 2 138 2 2 139 1 1 140 3 3 141 3 3 142 2 2 143 23 23 144 7 7 145 197 197 146 27 27 147 6 6 148 1 1 149 1 1 150 2 2 151 2 2 152 1 1 153 5 5 154 3 3 155 5 5 156 1 1 157 3 3 158 4 4 159 22 22 160 3 3 161 3 3 162 3 3 163 3 3 164 1 1 165 3 3 166 3 3 167 2 2 168 4 4 169 3 3 170 2 2 171 16 16 172 3 3 173 9 9 174 5 5 175 2 2 176 1 1 177 2 2 178 1 1 179 2 2 181 1 1 183 3 3 184 3 3 185 21 21 186 4 4 187 14 14 188 7 7 189 2 2 190 2 2 191 2 2 193 2 2 194 2 2 195 6 6 196 2 2 197 1 1 198 2 2 199 2 2 200 2 2 201 32 32 202 8 8 203 4 4 204 2 2 206 1 1 207 1 1 208 1 1 209 1 1 210 2 2 211 2 2 212 2 2 213 3 3 214 6 6 215 5 5 216 4 4 217 1 1 218 1 1 220 2 2 223 1 1 224 1 1 225 2 2 226 1 1 227 4 4 228 1 1 229 7 7 230 1 1 231 1 1 232 1 1 233 1 1 237 3 3 238 3 3 240 2 2 241 3 3 243 5 5 244 2 2 246 1 1 250 2 2 252 1 1 253 1 1 254 1 1 255 2 2 256 1 1 257 4 4 258 3 3 260 2 2 263 1 1 265 1 1 266 3 3 268 2 2 269 8 8 270 1 1 271 4 4 273 1 1 274 2 2 275 2 2 277 2 2 278 2 2 279 2 2 280 1 1 281 1 1 283 4 4 284 1 1 285 6 6 286 2 2 287 2 2 288 1 1 289 1 1 291 2 2 292 1 1 293 1 1 294 1 1 295 2 2 296 1 1 297 1 1 299 1 1 300 1 1 301 1 1 304 1 1 305 1 1 306 1 1 307 3 3 309 1 1 311 1 1 312 9 9 313 140 140 314 40 40 315 10 10 316 3 3 317 2 2 318 1 1 319 2 2 320 1 1 321 3 3 323 2 2 324 1 1 325 2 2 326 3 3 328 9 9 329 1 1 330 2 2 331 2 2 332 2 2 333 1 1 334 2 2 337 2 2 339 2 2 340 1 1 341 3 3 342 1 1 344 1 1 345 3 3 346 2 2 347 1 1 349 2 2 350 2 2 351 1 1 352 1 1 353 2 2 355 3 3 356 1 1 358 2 2 359 1 1 361 4 4 362 2 2 365 2 2 366 1 1 368 2 2 371 1 1 374 4 4 376 1 1 377 1 1 378 1 1 379 2 2 380 2 2 381 1 1 382 1 1 383 2 2 384 2 2 385 1 1 386 2 2 387 2 2 388 2 2 389 3 3 390 1 1 391 1 1 392 1 1 394 2 2 395 1 1 396 2 2 397 1 1 398 1 1 400 3 3 401 1 1 402 2 2 406 1 1 407 1 1 408 1 1 410 2 2 411 1 1 413 2 2 417 2 2 418 1 1 420 2 2 423 2 2 425 1 1 426 1 1 429 1 1 430 1 1 431 1 1 432 2 2 433 2 2 434 1 1 435 2 2 438 1 1 441 2 2 442 2 2 443 1 1 444 2 2 445 1 1 446 2 2 448 1 1 450 1 1 451 2 2 452 1 1 457 1 1 460 2 2 461 1 1 462 2 2 470 3 3 472 2 2 473 1 1 475 1 1 476 1 1 478 1 1 481 2 2 482 2 2 485 2 2 488 1 1 489 1 1 490 1 1 491 2 2 494 2 2 496 2 2 497 1 1 498 1 1 500 1 1 //

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