ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002705
RECORD_TITLE: FUCOSTEROL METHYL ETHER; 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$NAME: FUCOSTEROL METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₀H₅₀O
CH$EXACT_MASS: 426.38617
CH$SMILES: C(C4)=C(C1)C(C(C34[H])([H])CCC(C32[H])(C(CC2)(C(CCC(=CC)C(C)C)([H])C)[H])C)(CCC1OC)C
CH$IUPAC: InChI=1S/C30H50O/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31-7)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28H,9-10,12-19H2,1-7H3/b22-8+/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1
CH$LINK: INCHIKEY GSKFDRGPRSWWDC-FTKWHHHFSA-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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6s-4963000000-73cb250cce52f08ca758
PK$NUM_PEAK: 212
PK$PEAK: m/z int. rel.int.
  39 1.5 15
  41 16.3 163
  43 9.5 95
  45 0.29 3
  53 4.1 41
  54 1.3 13
  55 51.2 512
  56 0.36 4
  57 5.9 59
  58 1.5 15
  65 2.3 23
  66 0.15 2
  67 19.6 196
  68 4.6 46
  69 33.4 334
  70 0.34 3
  71 19.2 192
  72 1.8 18
  73 3.3 33
  77 0.76 8
  78 2 20
  79 22.3 223
  80 3.1 31
  81 3.2 32
  82 5.4 54
  83 17.5 175
  84 2.4 24
  85 0.34 3
  86 1 10
  91 24.9 249
  92 5.6 56
  93 2.54 25
  94 5.6 56
  95 29.1 291
  96 3.9 39
  97 2.5 25
  98 3.9 39
  99 1.5 15
  103 1.8 18
  104 0.23 2
  105 30.3 303
  106 8 80
  107 32.3 323
  108 0.83 8
  109 20.2 202
  110 4.2 42
  111 9.1 91
  112 0.11 1
  115 3.6 36
  116 2.3 23
  117 11.8 118
  118 0.55 6
  119 27 270
  120 17.8 178
  121 22.2 222
  122 0.56 6
  123 12.5 125
  124 2.6 26
  126 2.8 28
  127 0.12 1
  128 3.3 33
  129 7.5 75
  130 4.6 46
  131 1.89 19
  132 6.5 65
  133 23 230
  134 7.7 77
  135 1.55 16
  136 3.7 37
  137 8 80
  138 4.6 46
  139 0.39 4
  141 3.3 33
  142 2.9 29
  143 14 140
  144 0.66 7
  145 30.9 309
  146 9.3 93
  147 19.8 198
  148 0.5 5
  149 8.2 82
  150 1.9 19
  151 3.4 34
  152 0.16 2
  153 1 10
  155 3.7 37
  156 3.7 37
  157 1.15 12
  158 12.8 128
  159 26.6 266
  160 12.3 123
  161 2.01 20
  162 4.5 45
  163 7.7 77
  164 2 20
  165 0.28 3
  169 4 40
  170 1.8 18
  171 10.8 108
  172 0.56 6
  173 14.4 144
  174 6.1 61
  175 9.2 92
  176 0.37 4
  177 4.7 47
  178 1.8 18
  179 1.1 11
  183 0.38 4
  184 1.7 17
  185 10.3 103
  186 4.8 48
  187 0.86 9
  188 3.9 39
  189 8.9 89
  190 3.8 38
  191 0.31 3
  192 1.3 13
  193 1.2 12
  197 5.9 59
  198 0.33 3
  199 11.6 116
  200 4.9 49
  201 7.5 75
  202 0.47 5
  203 9 90
  204 2.7 27
  205 1.5 15
  209 0.1 1
  211 17 170
  212 5.6 56
  213 27.5 275
  214 1.16 12
  215 8 80
  216 2.3 23
  217 3.3 33
  218 0.1 1
  225 4.6 46
  226 2.7 27
  227 11 110
  228 1.27 13
  229 12 120
  230 2.9 29
  231 3.3 33
  232 0.13 1
  233 1.5 15
  239 5 50
  240 3.7 37
  241 0.51 5
  242 3.1 31
  243 15.2 152
  244 5.1 51
  245 0.82 8
  246 4.8 48
  247 1.4 14
  253 11.6 116
  254 0.72 7
  255 16.5 165
  256 5.6 56
  257 6.4 64
  258 0.23 2
  259 3.2 32
  260 4 40
  261 1 10
  266 0.11 1
  267 5 50
  268 3 30
  269 2 20
  270 0.21 2
  271 2.5 25
  272 2.8 28
  273 4.8 48
  274 0.14 1
  281 41.1 411
  282 10.7 107
  283 5 50
  284 0.32 3
  285 14.2 142
  286 6.6 66
  287 2.6 26
  295 0.17 2
  296 48 480
  297 13.3 133
  298 2.2 22
  299 0.23 2
  300 2.2 22
  301 4.5 45
  302 1 10
  313 2.35 24
  314 6.8 68
  315 1 10
  327 4.1 41
  328 99.99 999
  329 26.1 261
  330 3.1 31
  339 1 10
  351 0.1 1
  352 3.9 39
  353 2.9 29
  354 1 10
  355 0.35 4
  365 1.1 11
  366 1.1 11
  379 12.6 126
  380 0.42 4
  392 1.2 12
  394 9.9 99
  395 3.8 38
  411 0.56 6
  412 1.7 17
  424 1.3 13
  426 4.1 41
  427 1.2 12
//