ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009510
RECORD_TITLE: MEVINOLINE; 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$NAME: MEVINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₆O₅
CH$EXACT_MASS: 404.25627
CH$SMILES: CCC([H])(C)C(=O)OC(C3)C([H])(C1=CC(C)3)C(CCC(C2)OC(=O)CC(O)2)C(C)C=C1
CH$IUPAC: InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
CH$LINK: CAS 75330-75-5
CH$LINK: INCHIKEY PCZOHLXUXFIOCF-BXMDZJJMSA-N
CH$LINK: COMPTOX DTXSID5020784

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 30 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-2910000000-dc8caf3905a76d1dc259
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
  17 3.15 32
  18 15.45 155
  27 1.64 16
  28 12.5 125
  29 5.18 52
  32 2.8 28
  39 1.54 15
  41 8.3 83
  42 1.57 16
  43 7.2 72
  44 2.83 28
  45 2.38 24
  55 6.65 67
  56 1.83 18
  57 31.54 315
  58 2.66 27
  67 3.36 34
  68 1.05 11
  69 2.9 29
  71 3.38 34
  73 2.86 29
  74 3.21 32
  77 1.16 12
  79 3.47 35
  80 2.53 25
  81 7.46 75
  82 1.22 12
  83 1.89 19
  84 2.08 21
  85 5.93 59
  87 1.54 15
  89 4.08 41
  91 5.8 58
  92 1.5 15
  93 4.09 41
  95 1.9 19
  97 2.84 28
  103 1.77 18
  105 17.14 171
  106 3.12 31
  107 2.81 28
  108 1.54 15
  109 1.39 14
  111 1.18 12
  115 3.01 30
  116 1.14 11
  117 6.46 65
  118 5.96 60
  119 6.96 70
  120 1.5 15
  121 1.27 13
  126 2.68 27
  127 1.62 16
  128 4.37 44
  129 8.52 85
  130 3.94 39
  131 13.22 132
  132 5.44 54
  133 3.45 35
  141 4.14 41
  142 7.65 77
  143 25.5 255
  144 10.65 107
  145 12.59 126
  146 3.2 32
  147 1.71 17
  155 9.15 92
  156 12.11 121
  157 78.05 781
  158 27.13 271
  159 99.99 999
  160 16.01 160
  161 4.57 46
  165 1.01 10
  167 1.43 14
  169 19.14 191
  170 11.52 115
  171 12.45 125
  172 47.07 471
  173 18.05 181
  174 6.42 64
  175 1.91 19
  179 1.08 11
  181 2.07 21
  182 1.62 16
  183 15.58 156
  184 3.59 36
  185 4.97 50
  186 1.49 15
  187 1.22 12
  195 2.23 22
  196 2.29 23
  197 16.52 165
  198 70.76 708
  199 21.59 216
  200 12.15 122
  201 3.45 35
  202 1.46 15
  209 3.62 36
  210 21.15 212
  211 3.83 38
  212 1.16 12
  213 1.59 16
  215 1.02 10
  223 2.38 24
  224 20.84 208
  225 5.96 60
  226 1.08 11
  227 1.07 11
  233 3.64 36
  238 2.88 29
  239 1.02 10
  242 1.81 18
  243 1.19 12
  251 2.59 26
  256 1.21 12
  269 4.93 49
  284 11.86 119
  285 3.25 33
  286 1.59 16
  287 2.68 27
  302 10.83 108
  303 2.78 28
  304 2.22 22
  404 2.81 28
//