MassBank Record: JP002759



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

ACCESSION: JP002759
RECORD_TITLE: 1,2-DIPALMITOYL 3-ACETYL 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$NAME: 1,2-DIPALMITOYL 3-ACETYL GLYCEROL CH$COMPOUND_CLASS: N/A CH$FORMULA: C37H70O6 CH$EXACT_MASS: 610.51724 CH$SMILES: O=C(OC(COC(=O)CCCCCCCCCCCCCCC)COC(C)=O)CCCCCCCCCCCCCCC CH$IUPAC: InChI=1S/C37H70O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36(39)42-33-35(32-41-34(3)38)43-37(40)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-33H2,1-3H3
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$SPLASH: splash10-0a4i-3469000000-eb5b0d24a3cc4faa66b3 PK$NUM_PEAK: 123 PK$PEAK: m/z int. rel.int. 55 1.8 18 57 4.8 48 67 1.4 14 69 0.45 5 70 1.5 15 71 8.8 88 73 4 40 81 0.4 4 82 1.6 16 83 7.9 79 84 11 110 85 0.96 10 86 1.4 14 95 7.7 77 96 2.9 29 97 0.91 9 98 23.4 234 99 5.7 57 100 1.3 13 107 0.11 1 109 5.7 57 110 1.7 17 111 5.4 54 112 1.15 12 113 3.7 37 115 1.9 19 116 2.2 22 117 4.55 46 118 2.7 27 121 1.6 16 123 3.7 37 124 0.11 1 125 2.9 29 126 3.6 36 127 1.6 16 129 0.27 3 133 1.9 19 135 2.7 27 137 2.4 24 139 0.14 1 140 1.7 17 141 1.5 15 147 2.7 27 149 0.12 1 151 1.1 11 154 1.9 19 155 1.3 13 158 2.88 29 159 11.7 117 168 1 10 169 1 10 171 2.83 28 172 3.3 33 177 2 20 182 1.2 12 185 0.37 4 191 4.2 42 192 1 10 193 1.1 11 199 0.15 2 207 32.2 322 208 6.7 67 209 4.2 42 210 0.1 1 213 5.1 51 221 3 30 227 12 120 228 0.24 2 236 1.2 12 237 1.9 19 238 8.3 83 239 8.05 81 240 13.8 138 241 3.4 34 242 1 10 255 0.32 3 256 1.3 13 265 1.5 15 267 2.1 21 269 0.42 4 270 1.3 13 280 2.8 28 281 16.1 161 282 0.45 5 283 4.9 49 284 1.6 16 295 1.2 12 297 0.28 3 298 1 10 299 1.7 17 311 7.9 79 312 0.37 4 313 22.9 229 314 4.6 46 325 2.6 26 326 0.12 1 339 1.3 13 341 5.2 52 342 1.4 14 353 0.24 2 354 20.7 207 355 99.99 999 356 23.4 234 357 0.33 3 367 9.8 98 368 2 20 373 1.4 14 396 0.28 3 399 2.3 23 409 1.6 16 423 4.1 41 424 0.16 2 429 2.7 27 430 1.1 11 452 1 10 465 0.12 1 508 2.4 24 509 1 10 551 4.3 43 552 0.16 2 553 0.3 3 577 0.1 1 592 0.1 1 //