ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009511
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4j-1910000000-8aeacab386a420581150
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
  18 1.22 12
  27 2.13 21
  28 2.07 21
  29 6.63 66
  39 2.13 21
  41 8.86 89
  42 2.43 24
  43 2.67 27
  44 3.89 39
  45 2.86 29
  55 4.61 46
  56 1.94 19
  57 19.87 199
  58 2.33 23
  67 1.88 19
  69 1.68 17
  71 2.46 25
  73 3.22 32
  74 4.67 47
  77 1.52 15
  79 2.33 23
  80 2.03 20
  81 4.05 41
  83 1.1 11
  84 1.45 15
  85 4.43 44
  87 1.66 17
  89 4.04 40
  91 5.01 50
  92 1.1 11
  93 2.3 23
  95 1.21 12
  97 1.9 19
  103 1.54 15
  105 10.16 102
  106 2.19 22
  107 1.79 18
  108 1.3 13
  115 3.21 32
  116 1.21 12
  117 4.19 42
  118 4.37 44
  119 4.07 41
  120 1.23 12
  126 2.76 28
  127 1.59 16
  128 4.23 42
  129 6.1 61
  130 2.7 27
  131 7.38 74
  132 4.25 43
  133 2.16 22
  141 3.07 31
  142 4.71 47
  143 16.21 162
  144 7.35 74
  145 8.56 86
  146 2.37 24
  147 1.25 13
  155 6.87 69
  156 10.93 109
  157 72.15 722
  158 26.93 269
  159 95.11 951
  160 16.45 165
  161 4.65 47
  169 16.54 165
  170 11.68 117
  171 9.62 96
  172 56.63 566
  173 17.5 175
  174 7.72 77
  175 1.92 19
  181 1.49 15
  182 1.21 12
  183 13.09 131
  184 3.28 33
  185 4.8 48
  186 1.49 15
  195 1.74 17
  196 2.32 23
  197 17.82 178
  198 99.99 999
  199 24.51 245
  200 15.98 160
  201 3.9 39
  202 2.07 21
  209 3.08 31
  211 3.93 39
  212 1.39 14
  213 1.55 16
  214 1.23 12
  223 1.72 17
  224 25.09 251
  225 7.17 72
  226 1.26 13
  227 1.09 11
  233 3.05 31
  238 3.45 35
  239 1 10
  242 2.26 23
  243 1.35 14
  251 2.31 23
  256 1.38 14
  269 5.46 55
  270 1.2 12
  284 15.8 158
  285 4.41 44
  286 2.1 21
  287 3.98 40
  300 1.07 11
  302 19.65 197
  303 4.95 50
  304 4.39 44
  404 5.89 59
  405 1.95 20
//