MassBank Record: JP002684



 1-HEXADECYL-2,3-DI-O-ACETHYL GLYCEROL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002684
RECORD_TITLE: 1-HEXADECYL-2,3-DI-O-ACETHYL GLYCEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-HEXADECYL-2,3-DI-O-ACETHYL GLYCEROL CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H44O5 CH$EXACT_MASS: 400.31887 CH$SMILES: CCCCCCCCCCCCCCCCOCC(COC(C)=O)OC(C)=O CH$IUPAC: InChI=1S/C23H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-23(28-22(3)25)20-27-21(2)24/h23H,4-20H2,1-3H3
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-06ds-8930000000-30ec6d48ef519d717a4d PK$NUM_PEAK: 168 PK$PEAK: m/z int. rel.int. 41 1.4 14 43 17.3 173 44 1.6 16 54 2.9 29 55 26.1 261 56 11.6 116 57 60.7 607 58 0.73 7 59 1.6 16 60 3.4 34 61 7.2 72 66 0.13 1 67 11.6 116 68 10.4 104 69 45.4 454 70 1.41 14 71 75.9 759 72 5.8 58 73 40 400 74 0.56 6 75 4.2 42 77 3.9 39 79 3.3 33 80 0.31 3 81 21 210 82 30.6 306 83 57.9 579 84 1.53 15 85 82.5 825 86 20.1 201 87 3.9 39 91 0.17 2 93 2.7 27 94 5 50 95 27 270 96 3.41 34 97 64.9 649 98 18.8 188 99 45.4 454 100 7.22 72 101 25.9 259 102 3.3 33 103 52.4 524 104 0.32 3 105 2.9 29 107 3.2 32 108 4.5 45 109 1.83 18 110 19.6 196 111 41.3 413 112 25.7 257 113 2.83 28 114 3.7 37 115 11.3 113 116 32.3 323 117 99.99 999 118 5.6 56 119 6.9 69 120 1.5 15 121 0.58 6 122 4.4 44 123 16.4 164 124 17 170 125 3.32 33 126 10.5 105 127 23.1 231 128 2.9 29 129 0.45 5 130 1.5 15 133 4.1 41 135 9.8 98 136 0.38 4 137 12.4 124 138 13.2 132 139 13.6 136 140 0.54 5 141 20.3 203 142 2.8 28 143 1.2 12 144 0.11 1 145 20.3 203 146 1.9 19 147 4.6 46 149 1.28 13 150 2.4 24 151 7.4 74 152 8.5 85 153 0.95 10 154 3.8 38 155 15.3 153 156 2.1 21 157 0.14 1 158 2 20 159 71.9 719 160 5.9 59 161 0.15 2 163 3.3 33 165 6.7 67 166 6.4 64 167 0.91 9 168 3.3 33 169 10.3 103 170 2 20 171 0.18 2 177 5.6 56 178 1.4 14 179 6 60 180 0.38 4 181 4.2 42 182 2.3 23 183 5.8 58 184 0.19 2 185 3 30 186 1.3 13 189 2.8 28 191 0.53 5 192 1.3 13 193 5.7 57 194 5.2 52 195 0.42 4 196 3.6 36 199 1.5 15 205 1.9 19 206 0.19 2 207 37.6 376 208 9.5 95 209 8.3 83 210 0.24 2 213 1.7 17 219 2.2 22 220 1.9 19 221 0.23 2 222 9.4 94 223 8.2 82 224 5 50 225 2.27 23 226 3.9 39 227 2.3 23 233 2.1 21 237 0.47 5 238 2.3 23 239 1.6 16 241 1.3 13 251 1 10 252 5.4 54 253 16.9 169 254 3.4 34 255 6.06 61 256 12 120 257 1.1 11 267 3.1 31 269 0.16 2 280 14.4 144 281 10.7 107 282 2.7 27 283 0.25 3 285 6.9 69 286 1.7 17 297 75.8 758 298 1.92 19 299 2.7 27 327 2.5 25 338 1.6 16 339 0.21 2 341 3.4 34 342 1.1 11 355 1.4 14 357 0.7 7 //