ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005750
RECORD_TITLE: CAMPESTEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: CAMPESTEROL
CH$NAME: (24R)-ERGOST-5-EN-3BETA-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₄₈O
CH$EXACT_MASS: 400.37052
CH$SMILES: C(C1)C([H])(O)CC(=C([H])4)C1(C([H])(C3([H])C4)CCC(C)(C23[H])C(CC2)([H])C(CCC([H])(C)C(C)C)([H])C)C
CH$IUPAC: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1
CH$LINK: CAS 474-62-4
CH$LINK: INCHIKEY SGNBVLSWZMBQTH-SSKRYHHQSA-N

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4l-9821000000-27c5e57691c268863a33
PK$NUM_PEAK: 198
PK$PEAK: m/z int. rel.int.
  15 1.8 18
  18 14.3 143
  27 9.8 98
  28 19.8 198
  29 17.9 179
  32 5.3 53
  35 1.5 15
  36 6.4 64
  38 2.5 25
  39 7.3 73
  40 1.7 17
  41 59.8 598
  42 12 120
  43 99.99 999
  44 6.9 69
  53 8.9 89
  55 48.5 485
  56 6.3 63
  57 37.7 377
  58 2.8 28
  65 3.8 38
  66 1.9 19
  67 26 260
  68 4.6 46
  69 35.6 356
  70 3.4 34
  71 32 320
  72 1.9 19
  73 3.6 36
  77 10.1 101
  78 3.9 39
  79 30.4 304
  80 4.8 48
  81 42.1 421
  82 4.7 47
  83 19.2 192
  84 3.2 32
  85 7.9 79
  91 35.6 356
  92 8.8 88
  93 34 340
  94 9.1 91
  95 38.5 385
  96 5.3 53
  97 12.7 127
  98 1.2 12
  103 3.1 31
  104 3.1 31
  105 44.8 448
  106 12.3 123
  107 43.1 431
  108 10.7 107
  109 20.2 202
  110 3.4 34
  111 4.9 49
  115 5.5 55
  116 4 40
  117 15.5 155
  118 7.8 78
  119 27.6 276
  120 19.6 196
  121 21.3 213
  122 5.3 53
  123 11.4 114
  124 6.7 67
  125 5.7 57
  127 1.6 16
  128 4.8 48
  129 8.8 88
  130 4.9 49
  131 20.8 208
  132 7 70
  133 26 260
  134 8.8 88
  135 18.1 181
  136 5.1 51
  137 5.5 55
  138 2.1 21
  141 3.6 36
  142 3 30
  143 15.3 153
  144 6.5 65
  145 38 380
  146 10 100
  147 21.2 212
  148 6 60
  149 9.9 99
  150 2.2 22
  151 4.2 42
  152 1.6 16
  155 2 20
  156 1.7 17
  157 8.9 89
  158 9.9 99
  159 25 250
  160 13.3 133
  161 21 210
  162 5.7 57
  163 14.7 147
  164 2.8 28
  165 2.5 25
  169 1.8 18
  171 6.9 69
  172 3.3 33
  173 10.2 102
  174 4.5 45
  175 6.2 62
  176 3 30
  177 5.1 51
  178 6.5 65
  179 2.7 27
  183 1.7 17
  185 7.5 75
  186 3.6 36
  187 7.4 74
  188 2.3 23
  189 4.2 42
  191 3.8 38
  193 1.3 13
  197 2.7 27
  199 9.2 92
  200 3 30
  201 4.9 49
  202 1.8 18
  203 2.6 26
  205 2.8 28
  207 11.2 112
  208 2.3 23
  209 1.3 13
  211 2 20
  212 1.3 13
  213 22.9 229
  214 7.3 73
  215 6 60
  216 1.4 14
  217 2.6 26
  219 2.1 21
  220 1.8 18
  221 1.3 13
  227 4.2 42
  228 5.9 59
  229 7.9 79
  230 2.4 24
  231 11.5 115
  232 3.5 35
  233 2.4 24
  234 1.8 18
  239 1.7 17
  241 2.7 27
  245 1.7 17
  246 2.5 25
  247 2.5 25
  253 1.8 18
  255 15.1 151
  256 3.6 36
  257 1.9 19
  259 1.9 19
  260 1.5 15
  261 7.2 72
  262 2.4 24
  271 5.7 57
  272 3.2 32
  273 11.3 113
  274 5.1 51
  275 3.3 33
  276 1.3 13
  281 6.3 63
  282 1.7 17
  283 2.2 22
  288 5.6 56
  289 24.4 244
  290 5.3 53
  296 1.7 17
  299 3.4 34
  300 1.6 16
  301 2.1 21
  313 1.4 14
  314 9.7 97
  315 17.1 171
  316 4.3 43
  327 1.3 13
  328 1.7 17
  340 3 30
  341 2.3 23
  343 2 20
  380 1.7 17
  381 1.2 12
  382 27.6 276
  383 9.7 97
  384 2.1 21
  385 12.7 127
  386 4.8 48
  387 1.1 11
  398 2.6 26
  399 1 10
  400 37 370
  401 11.8 118
  402 2.1 21
//