ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009506
RECORD_TITLE: ERGOSTERIN; 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$NAME: ERGOSTERIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₄₄O
CH$EXACT_MASS: 396.33922
CH$SMILES: C(=CC([H])(C)C(C)C)C(C(C4)([H])C(C3(C4)[H])(CCC(C=23)(C(C1)(C)C(=CC2)CC(O)C1)[H])C)([H])C
CH$IUPAC: InChI=1S/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20-,22-,24+,25-,26-,27-,28+/m0/s1
CH$LINK: CAS 57-87-4
CH$LINK: INCHIKEY DNVPQKQSNYMLRS-PFQWWJQESA-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$SPLASH: splash10-0002-5739000000-d0138ac11d14b1acc4f8
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
  27 1.95 20
  29 2.42 24
  39 1.5 15
  41 9.7 97
  43 17.74 177
  53 1.93 19
  55 17.6 176
  57 4.5 45
  67 6.11 61
  69 19.74 197
  70 2.34 23
  71 1.62 16
  77 2.62 26
  79 4.94 49
  81 11.59 116
  82 1.75 18
  83 7.28 73
  91 6.43 64
  92 1.02 10
  93 5.38 54
  94 1.03 10
  95 5.5 55
  97 1.97 20
  105 6.32 63
  106 1.05 11
  107 6.17 62
  108 1.07 11
  109 6.08 61
  115 2.71 27
  116 1.28 13
  117 3.62 36
  118 2.14 21
  119 7.03 70
  120 1.14 11
  121 2.4 24
  123 1.58 16
  125 3.25 33
  127 1 10
  128 4.49 45
  129 4.88 49
  130 1.9 19
  131 5.82 58
  132 1.66 17
  133 4.33 43
  134 1.06 11
  135 1.58 16
  137 1.01 10
  141 3.82 38
  142 2.96 30
  143 11.25 113
  144 3.6 36
  145 9.08 91
  146 2.02 20
  147 3.74 37
  153 1.33 13
  154 1.07 11
  155 4.03 40
  156 2.28 23
  157 9.38 94
  158 4.92 49
  159 8.87 89
  160 1.67 17
  161 1.71 17
  165 1.38 14
  167 1.65 17
  168 1.15 12
  169 4.22 42
  170 2.19 22
  171 6.51 65
  172 1.72 17
  173 2.44 24
  175 4.87 49
  176 1.59 16
  177 1.39 14
  181 1.97 20
  182 1.15 12
  183 4.35 44
  184 1.64 16
  185 4.91 49
  186 2.13 21
  187 1.52 15
  195 2.21 22
  196 1.34 13
  197 6.02 60
  198 2.12 21
  199 4.82 48
  200 1.08 11
  201 1 10
  209 2.02 20
  210 1.18 12
  211 9.27 93
  212 2.39 24
  213 4 40
  217 2.11 21
  223 1.54 15
  224 1.22 12
  225 2.62 26
  226 2.13 21
  227 2.99 30
  229 1.51 15
  237 2.85 29
  238 1.41 14
  239 2.44 24
  251 4.08 41
  252 1.46 15
  253 15.4 154
  254 3.43 34
  255 1.77 18
  269 2.09 21
  270 1.29 13
  271 8.45 85
  272 1.93 19
  337 18.45 185
  338 6.4 64
  339 1.24 12
  363 45 450
  364 13.88 139
  365 2.21 22
  376 1.42 14
  377 1.11 11
  378 3.13 31
  379 1.35 14
  380 1.17 12
  381 1.77 18
  394 2.35 24
  395 1.28 13
  396 99.99 999
  397 31.34 313
  398 5.39 54
//