ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004555
RECORD_TITLE: N-ACETYL-O-TRIMETHYLSILYLSPHINGATRIENE; 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$NAME: N-ACETYL-O-TRIMETHYLSILYLSPHINGATRIENE
CH$NAME: 2-(METHYLACETAMIDO)-1O,3O-BIS(TRIMETHYLSILYL)-4,8.10-OCTADECATRIEN-1,3-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₅₁NO₃Si₂
CH$EXACT_MASS: 481.34075
CH$SMILES: [Si](OC(C=CCCC=CC=CCCCCCCC)(C(NC(C)=O)(CO[Si](C)(C)C)[H])[H])(C)(C)C
CH$IUPAC: InChI=1S/C26H51NO3Si2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(30-32(6,7)8)25(27-24(2)28)23-29-31(3,4)5/h15-18,21-22,25-26H,9-14,19-20,23H2,1-8H3,(H,27,28)/b16-15+,18-17+,22-21+/t25-,26+/m0/s1
CH$LINK: INCHIKEY FRLINEYRHLTCHB-OUDRZLFHSA-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$SPLASH: splash10-00di-4931000000-bce6c2cc6dd1e9a91433
PK$NUM_PEAK: 201
PK$PEAK: m/z int. rel.int.
  41 4.7 47
  42 2.2 22
  43 11.1 111
  45 0.32 3
  47 4.6 46
  48 1.5 15
  55 6.6 66
  56 0.4 4
  57 9.8 98
  59 7.8 78
  60 5.7 57
  67 2.46 25
  68 4.1 41
  69 14 140
  70 1.1 11
  71 0.87 9
  72 2.1 21
  73 29.3 293
  75 31.5 315
  76 0.22 2
  77 2.7 27
  78 4.8 48
  79 8.6 86
  80 0.99 10
  81 16.5 165
  82 3.8 38
  83 15.1 151
  84 0.67 7
  85 21.3 213
  86 12.9 129
  87 3.3 33
  91 0.54 5
  92 2 20
  93 7.7 77
  94 5.1 51
  95 2.01 20
  96 5 50
  97 8 80
  98 7.5 75
  99 0.38 4
  100 1.6 16
  103 32.4 324
  104 5.4 54
  105 0.59 6
  106 2.1 21
  107 4.6 46
  108 2.8 28
  109 1.54 15
  110 5.3 53
  111 5.3 53
  112 8.3 83
  113 0.25 3
  116 20.1 201
  117 11.6 116
  118 3.5 35
  119 1.08 11
  120 2.5 25
  121 4.7 47
  122 3.9 39
  123 1.16 12
  124 7 70
  125 2.8 28
  128 5.4 54
  129 2.68 27
  130 5 50
  131 7 70
  132 25 250
  133 1.45 15
  134 3.9 39
  135 4.1 41
  136 4.9 49
  137 0.33 3
  138 3.5 35
  141 4.9 49
  142 7.9 79
  143 0.77 8
  144 2.6 26
  145 6.3 63
  146 2.2 22
  147 0.73 7
  148 2.3 23
  149 3.1 31
  150 1.6 16
  151 0.15 2
  154 9.4 94
  155 7.4 74
  156 3.4 34
  157 7.14 71
  158 12.4 124
  159 6.1 61
  160 2.9 29
  161 0.22 2
  164 18.6 186
  165 23.5 235
  166 3.4 34
  167 0.23 2
  168 3.8 38
  169 4 40
  170 2.6 26
  171 0.26 3
  172 2.2 22
  173 6.2 62
  174 99.99 999
  175 1.55 16
  176 6.4 64
  177 2.1 21
  178 3.8 38
  179 0.29 3
  180 2 20
  181 2.8 28
  182 15.4 154
  183 0.51 5
  184 2.4 24
  185 3 30
  186 4.9 49
  187 0.43 4
  188 3 30
  190 1.5 15
  191 2.3 23
  192 0.21 2
  193 5.3 53
  194 1.8 18
  196 2.1 21
  197 0.3 3
  200 1.8 18
  201 2.3 23
  202 1.6 16
  203 0.21 2
  204 2.9 29
  205 2.4 24
  206 1.5 15
  212 0.38 4
  213 2.6 26
  214 2.3 23
  215 2.1 21
  216 0.26 3
  217 21.8 218
  218 5.5 55
  219 2.6 26
  220 0.16 2
  221 2.2 22
  227 8.1 81
  228 10.3 103
  229 1 10
  230 4.5 45
  231 3.5 35
  232 2 20
  233 0.24 2
  241 7.2 72
  242 4.6 46
  243 6.2 62
  244 0.51 5
  245 2 20
  246 3.5 35
  247 21.9 219
  248 0.57 6
  249 3.9 39
  250 1.8 18
  256 2.5 25
  257 0.31 3
  258 2 20
  260 1.7 17
  261 1.7 17
  276 0.15 2
  282 0.7 7
  283 1.6 16
  288 12.4 124
  289 0.26 3
  290 3.4 34
  292 5.8 58
  293 1.6 16
  301 0.2 2
  302 1.7 17
  306 1.9 19
  307 20.8 208
  308 0.55 6
  309 7.3 73
  311 7.9 79
  312 2.7 27
  313 1.16 12
  314 2.8 28
  319 2.5 25
  320 2.3 23
  321 0.17 2
  322 3.5 35
  323 3 30
  332 5.5 55
  333 0.16 2
  334 2 20
  364 6 60
  376 3.4 34
  378 0.32 3
  382 2.3 23
  384 1.9 19
  391 6.1 61
  392 0.23 2
  422 2.5 25
  466 4.8 48
  467 2.1 21
  472 0.16 2
  481 1.9 19
//