MassBank Record: JP002681



 1,3-DI-O-TRIMETHYLSILYL-N-HEXADECANOYL-SPHINGOSINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002681
RECORD_TITLE: 1,3-DI-O-TRIMETHYLSILYL-N-HEXADECANOYL-SPHINGOSINE; 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$NAME: 1,3-DI-O-TRIMETHYLSILYL-N-HEXADECANOYL-SPHINGOSINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C40H83NO3Si2 CH$EXACT_MASS: 681.59115 CH$SMILES: O=C(NC([H])(CO[Si](C)(C)C)C(O[Si](C)(C)C)(C(=C([H])CCCCCCCCCCCCC)[H])[H])CCCCCCCCCCCCCCC CH$IUPAC: InChI=1S/C40H83NO3Si2/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(44-46(6,7)8)38(37-43-45(3,4)5)41-40(42)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h33,35,38-39H,9-32,34,36-37H2,1-8H3,(H,41,42)/b35-33+/t38-,39+/m0/s1
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 23 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03k9-2429000000-7932d8654089c6cf73ee PK$NUM_PEAK: 142 PK$PEAK: m/z int. rel.int. 55 2.9 29 56 2.3 23 57 3.8 38 59 1.9 19 67 2.1 21 68 1.3 13 69 3.1 31 70 0.23 2 71 2.4 24 73 6.9 69 75 20.5 205 76 0.19 2 77 1.3 13 79 1.6 16 80 2 20 81 0.36 4 82 3 30 83 4.3 43 84 1.4 14 85 0.17 2 93 1.7 17 94 2.6 26 95 4.3 43 96 0.27 3 97 3.8 38 98 2.8 28 103 4.4 44 107 0.16 2 108 1.7 17 109 2.3 23 110 2.3 23 111 0.22 2 112 1.3 13 115 1.5 15 116 4.9 49 117 0.19 2 118 1 10 120 1.1 11 121 2 20 122 0.11 1 123 1.4 14 124 1.6 16 129 12.1 121 130 0.21 2 131 5.8 58 132 44.8 448 133 5.3 53 134 0.27 3 135 1 10 136 1.3 13 137 1 10 138 0.12 1 142 2 20 144 1.1 11 147 2.4 24 149 0.16 2 150 1.2 12 155 4.1 41 156 1.2 12 157 1.75 18 158 3 30 159 1.5 15 167 1.2 12 168 0.15 2 169 1.3 13 170 2 20 171 1 10 173 0.1 1 181 1.6 16 184 1.1 11 186 1 10 221 0.41 4 239 1 10 243 17.9 179 244 4.4 44 245 0.21 2 246 1 10 247 6.2 62 248 2.2 22 250 1.21 12 251 4.8 48 252 1.6 16 256 1.7 17 258 0.43 4 259 1 10 260 2.8 28 261 1.1 11 262 0.23 2 263 2.8 28 264 5.1 51 280 2.1 21 290 0.12 1 292 2.8 28 295 2.3 23 296 1.1 11 309 0.2 2 310 2.8 28 311 96 960 312 25.9 259 313 0.77 8 314 1.5 15 318 1.7 17 328 2.3 23 330 0.15 2 332 3 30 333 1 10 336 3.9 39 337 0.19 2 338 2.9 29 339 1 10 340 1.6 16 352 0.4 4 353 4.2 42 354 2.5 25 355 2.8 28 356 0.11 1 368 1.2 12 369 3.2 32 370 99.99 999 371 2.95 30 372 7.7 77 373 1.3 13 408 1.2 12 426 10 100 427 3.6 36 428 1.5 15 429 2.2 22 443 0.52 5 444 2.7 27 445 1.2 12 488 5.5 55 489 0.24 2 501 1.3 13 502 1 10 503 1.3 13 562 0.11 1 578 2.4 24 579 1.4 14 580 1.9 19 591 0.12 1 666 2.6 26 667 1.4 14 //