ACCESSION: MSBNK-Kazusa-KZ000168
RECORD_TITLE: 16-Hydroxyhexadecanoic acid; GC-EI-TOF; MS; 2 TMS; BP:147
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_01388_P000094

CH$NAME: 16-Hydroxyhexadecanoic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₆H₃₂O₃
CH$EXACT_MASS: 272.23514
CH$SMILES: OCCCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
CH$LINK: CAS 506-13-8
CH$LINK: INCHIKEY UGAGPNKCDRTDHP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060133

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 2429.6
AC$CHROMATOGRAPHY: RETENTION_TIME 1076.31 sec

MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0002-4910000000-3af0d8d7105e95cb218a
PK$NUM_PEAK: 264
PK$PEAK: m/z int. rel.int.
  82 115 115
  83 859 859
  84 130 130
  85 212 212
  86 45 45
  87 109 109
  88 51 51
  89 280 280
  90 33 33
  91 217 217
  92 38 38
  93 181 181
  94 28 28
  95 542 542
  96 111 111
  97 570 570
  98 108 108
  99 185 185
  100 24 24
  101 263 263
  102 38 38
  103 775 775
  104 78 78
  105 108 108
  106 13 13
  107 126 126
  108 18 18
  109 225 225
  110 43 43
  111 194 194
  112 35 35
  113 86 86
  114 16 16
  115 144 144
  116 127 127
  117 791 791
  118 83 83
  119 70 70
  120 9 9
  121 178 178
  122 22 22
  123 115 115
  124 21 21
  125 58 58
  126 11 11
  127 39 39
  128 13 13
  129 626 626
  130 88 88
  131 283 283
  132 106 106
  133 233 233
  134 42 42
  135 150 150
  136 20 20
  137 59 59
  138 15 15
  139 28 28
  140 7 7
  141 24 24
  142 8 8
  143 70 70
  144 11 11
  145 124 124
  146 22 22
  147 999 999
  148 170 170
  149 770 770
  150 112 112
  151 78 78
  152 29 29
  153 18 18
  154 9 9
  155 24 24
  156 8 8
  157 38 38
  158 7 7
  159 26 26
  160 5 5
  161 13 13
  162 7 7
  163 32 32
  164 6 6
  165 9 9
  166 7 7
  167 8 8
  168 4 4
  169 11 11
  170 7 7
  171 41 41
  172 8 8
  173 13 13
  174 5 5
  175 8 8
  176 3 3
  177 19 19
  178 4 4
  179 5 5
  180 3 3
  181 5 5
  183 5 5
  184 1 1
  185 42 42
  186 7 7
  187 10 10
  188 8 8
  189 18 18
  190 11 11
  191 15 15
  192 6 6
  193 21 21
  194 15 15
  195 6 6
  196 2 2
  197 3 3
  198 2 2
  199 31 31
  200 7 7
  201 19 19
  202 4 4
  203 60 60
  204 518 518
  205 113 113
  206 48 48
  207 14 14
  208 6 6
  209 4 4
  210 1 1
  211 3 3
  212 1 1
  213 12 12
  214 3 3
  215 9 9
  216 3 3
  217 324 324
  218 76 76
  219 53 53
  220 10 10
  221 4 4
  222 1 1
  223 3 3
  224 1 1
  225 2 2
  226 1 1
  227 11 11
  228 3 3
  229 7 7
  230 3 3
  231 16 16
  232 5 5
  233 6 6
  234 3 3
  235 3 3
  236 18 18
  237 31 31
  238 6 6
  239 3 3
  240 1 1
  241 16 16
  242 4 4
  243 6 6
  244 4 4
  245 5 5
  246 3 3
  247 5 5
  248 2 2
  249 1 1
  250 1 1
  251 1 1
  252 1 1
  253 2 2
  254 1 1
  255 7 7
  256 2 2
  257 8 8
  258 3 3
  259 9 9
  260 4 4
  261 4 4
  262 1 1
  263 1 1
  265 1 1
  267 3 3
  268 2 2
  269 26 26
  270 7 7
  271 3 3
  272 1 1
  273 8 8
  274 3 3
  275 3 3
  276 1 1
  277 1 1
  279 1 1
  281 1 1
  282 1 1
  283 11 11
  284 5 5
  285 6 6
  286 2 2
  287 4 4
  288 2 2
  289 2 2
  290 1 1
  291 1 1
  293 2 2
  294 2 2
  295 3 3
  296 2 2
  297 5 5
  298 3 3
  299 2 2
  300 1 1
  301 3 3
  302 1 1
  303 2 2
  305 1 1
  309 2 2
  310 12 12
  311 300 300
  312 79 79
  313 24 24
  314 4 4
  315 4 4
  316 1 1
  317 1 1
  325 1 1
  326 8 8
  327 2 2
  328 1 1
  329 2 2
  330 1 1
  331 1 1
  343 2 2
  344 1 1
  357 1 1
  359 1 1
  371 1 1
  372 1 1
  373 1 1
  384 19 19
  385 185 185
  386 98 98
  387 35 35
  388 9 9
  389 2 2
  390 1 1
  391 1 1
  392 2 2
  393 2 2
  394 2 2
  395 2 2
  396 2 2
  397 2 2
  398 1 1
  399 1 1
  400 25 25
  401 303 303
  402 111 111
  403 41 41
  404 8 8
  405 2 2
  415 1 1
  416 2 2
//