MassBank Record: KZ000168



 16-Hydroxyhexadecanoic acid; GC-EI-TOF; MS; 2 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000168
RECORD_TITLE: 16-Hydroxyhexadecanoic acid; GC-EI-TOF; MS; 2 TMS; BP:147
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_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 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)