ACCESSION: MSBNK-RIKEN-PR010091
RECORD_TITLE: 16-Hydroxyhexadecanoic acid; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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: NIKKAJI J11.795A
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$CHROMATOGRAPHY: RETENTION_INDEX 2382.3
AC$CHROMATOGRAPHY: RETENTION_TIME 550.013 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C22H48O3Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 416.3142
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00fr-9410000000-cfd75a8815c3a5f3a004
PK$NUM_PEAK: 216
PK$PEAK: m/z int. rel.int.
  60 17 17
  61 123 123
  62 9 9
  63 6 6
  65 5 5
  66 8 8
  67 135 135
  68 3 3
  69 114 114
  70 25 25
  71 52 52
  72 47 47
  73 999 999
  74 101 101
  75 828 828
  76 78 78
  77 76 76
  78 5 5
  79 40 40
  80 7 7
  81 159 159
  82 23 23
  83 176 176
  84 27 27
  85 44 44
  86 9 9
  87 24 24
  88 11 11
  89 63 63
  90 7 7
  91 52 52
  92 6 6
  93 40 40
  94 6 6
  95 129 129
  96 28 28
  97 133 133
  98 26 26
  99 43 43
  100 5 5
  101 61 61
  102 8 8
  103 172 172
  104 17 17
  105 23 23
  106 3 3
  107 28 28
  108 4 4
  109 55 55
  110 11 11
  111 48 48
  112 8 8
  113 20 20
  114 3 3
  115 34 34
  116 30 30
  117 186 186
  118 20 20
  119 17 17
  120 2 2
  121 43 43
  122 5 5
  123 29 29
  124 5 5
  125 14 14
  126 3 3
  127 10 10
  128 3 3
  129 153 153
  130 21 21
  131 63 63
  132 28 28
  133 57 57
  134 10 10
  135 37 37
  136 5 5
  137 15 15
  138 4 4
  139 7 7
  140 2 2
  141 6 6
  142 2 2
  143 17 17
  144 2 2
  145 33 33
  146 6 6
  147 201 201
  148 34 34
  149 178 178
  150 26 26
  151 18 18
  152 8 8
  153 4 4
  154 2 2
  155 5 5
  156 2 2
  157 9 9
  158 1 1
  159 6 6
  160 1 1
  161 3 3
  162 1 1
  163 8 8
  164 1 1
  165 2 2
  166 2 2
  167 2 2
  168 1 1
  169 3 3
  170 2 2
  171 10 10
  172 2 2
  173 3 3
  174 1 1
  175 2 2
  177 5 5
  178 1 1
  179 1 1
  180 1 1
  181 1 1
  183 2 2
  184 1 1
  185 12 12
  186 2 2
  187 3 3
  188 3 3
  189 4 4
  190 3 3
  191 4 4
  192 2 2
  193 9 9
  194 5 5
  195 1 1
  197 1 1
  199 11 11
  200 2 2
  201 6 6
  202 1 1
  203 17 17
  204 171 171
  205 39 39
  206 16 16
  207 4 4
  208 2 2
  209 1 1
  211 1 1
  213 3 3
  214 1 1
  215 2 2
  216 1 1
  217 89 89
  218 21 21
  219 14 14
  220 3 3
  221 1 1
  227 3 3
  228 1 1
  229 2 2
  230 1 1
  231 4 4
  232 1 1
  233 2 2
  234 1 1
  235 1 1
  236 7 7
  237 10 10
  238 2 2
  239 1 1
  241 4 4
  242 1 1
  243 2 2
  244 2 2
  245 2 2
  246 1 1
  247 1 1
  255 2 2
  257 3 3
  258 1 1
  259 3 3
  260 1 1
  261 1 1
  267 1 1
  269 8 8
  270 2 2
  271 1 1
  273 2 2
  275 1 1
  283 3 3
  284 1 1
  285 2 2
  287 1 1
  295 1 1
  297 1 1
  298 1 1
  299 1 1
  301 1 1
  310 2 2
  311 84 84
  312 22 22
  313 6 6
  314 1 1
  315 1 1
  326 5 5
  327 1 1
  384 4 4
  385 56 56
  386 28 28
  387 10 10
  388 2 2
  395 1 1
  400 7 7
  401 110 110
  402 40 40
  403 15 15
  404 3 3
  416 1 1
//