ACCESSION: MSBNK-Kazusa-KZ000259
RECORD_TITLE: Palmitic acid; GC-EI-TOF; MS; 1 TMS; BP:117
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//