MassBank Record: PR010091



 16-Hydroxyhexadecanoic acid; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
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ACCESSION: 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
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 //