ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY IHEIJXJEKHCDTN-GLQCRSEXSA-N

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
//