ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008179
RECORD_TITLE: ISOFUCOSTEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: ISOFUCOSTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₉H₄₈O
CH$EXACT_MASS: 412.37052
CH$SMILES: CC(C4([H])C([H])(C)CCC(=CC)C(C)C)(C([H])3CC4)CCC(C([H])23)([H])C(C)(C1=CC2)CCC(C1)O
CH$IUPAC: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
CH$LINK: CAS 17605-67-3
CH$LINK: INCHIKEY OSELKOCHBMDKEJ-JUGJNGJRSA-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$SPLASH: splash10-03di-3589000000-2cb2e378478814cf2589
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
  28 1.48 15
  41 3.2 32
  43 2.89 29
  55 8.23 82
  56 1.19 12
  57 1.7 17
  67 2.46 25
  69 6.82 68
  79 2.23 22
  81 4.62 46
  82 3.25 33
  83 5.34 53
  91 2.23 22
  93 2.85 29
  94 1.09 11
  95 4.49 45
  97 3.26 33
  98 1.46 15
  105 3.16 32
  107 4.14 41
  108 1.21 12
  109 2.85 29
  110 1.18 12
  111 1.19 12
  117 1.04 10
  119 2.47 25
  120 2.29 23
  121 2.75 28
  123 1.94 19
  131 2.31 23
  132 1.19 12
  133 3.33 33
  134 1.32 13
  135 2.2 22
  137 1.32 13
  143 1.77 18
  144 1.18 12
  145 4.22 42
  146 1.2 12
  147 2.67 27
  149 1.29 13
  157 1.69 17
  158 3.4 34
  159 3.96 40
  160 1.68 17
  161 3.02 30
  163 1.44 14
  171 1.7 17
  172 1 10
  173 2.17 22
  174 1 10
  175 2.03 20
  176 2.65 27
  177 1.23 12
  185 1.72 17
  186 1.13 11
  187 1.83 18
  188 1.2 12
  189 1.81 18
  190 1.01 10
  197 1.39 14
  199 2.09 21
  201 1.42 14
  202 2.22 22
  203 2.23 22
  211 4.61 46
  212 1.56 16
  213 4.8 48
  214 2.05 21
  215 1.92 19
  217 1.23 12
  225 1.18 12
  227 1.71 17
  228 2.87 29
  229 15.17 152
  230 4.02 40
  231 5.44 54
  232 2.62 26
  239 1.04 10
  241 1.12 11
  245 1.29 13
  246 2.27 23
  253 1.6 16
  254 1.11 11
  255 2.4 24
  256 1.32 13
  257 1.07 11
  258 2.46 25
  270 1.62 16
  271 8.14 81
  272 4.19 42
  273 1.21 12
  281 14.53 145
  282 3.56 36
  283 1.11 11
  296 8.84 88
  297 2.44 24
  299 16.95 170
  300 5.7 57
  301 1.51 15
  314 99.99 999
  315 24.73 247
  316 3.23 32
  397 1.65 17
  412 11.31 113
  413 3.75 38
//