ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001191
RECORD_TITLE: 3-BETA-HYDROXY-TETRAHYDROALANTOLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAGAKI M, DEPT. OF GENERAL EDUC., HIROSAKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-BETA-HYDROXY-TETRAHYDROALANTOLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24O3
CH$EXACT_MASS: 252.17254
CH$SMILES: [H]C(C)(C3)C(C1)C(C)(CC3)CC([H])(O2)C([H])1C(C)(O)C(=O)2
CH$IUPAC: InChI=1S/C15H24O3/c1-9-5-4-6-14(2)8-12-11(7-10(9)14)15(3,17)13(16)18-12/h9-12,17H,4-8H2,1-3H3/t9-,10?,11-,12+,14+,15-/m0/s1
CH$LINK: INCHIKEY UQPYSUOAPAJVOE-SQGOOWKJSA-N
AC$INSTRUMENT: Unknown
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: splash10-0aba-3910000000-bd31c658dfbb48b381f5
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
  43 13.64 136
  44 3.58 36
  45 1.61 16
  55 3.58 36
  56 1.61 16
  57 6.7 67
  58 1.38 14
  59 2.08 21
  67 4.39 44
  68 4.5 45
  69 8.32 83
  70 2.77 28
  71 2.31 23
  74 19.88 199
  75 5.54 55
  79 3.35 34
  80 6.7 67
  81 19.53 195
  82 13.35 134
  83 8.44 84
  84 12.25 123
  85 4.39 44
  91 5.31 53
  92 2.08 21
  93 23.81 238
  94 25.66 257
  95 40.69 407
  96 48.32 483
  97 46.12 461
  98 5.55 56
  99 1.61 16
  105 20.69 207
  106 7.63 76
  107 25.54 255
  108 85.2 852
  109 58.84 588
  110 10.75 108
  111 5.66 57
  112 2.77 28
  113 2.42 24
  117 1.5 15
  118 1.96 20
  119 22.08 221
  120 19.19 192
  121 99.99 999
  122 43.69 437
  123 24.97 250
  124 9.48 95
  125 10.75 108
  126 4.62 46
  131 6.35 64
  132 1.84 18
  133 13.52 135
  134 13.17 132
  135 20.57 206
  136 10.98 110
  137 7.05 71
  138 21.5 215
  139 21.73 217
  140 3.23 32
  143 10.63 106
  144 1.5 15
  145 25.08 251
  146 3.23 32
  147 14.56 146
  148 8.78 88
  149 13.52 135
  150 4.85 49
  151 9.94 99
  152 5.08 51
  153 3.69 37
  159 3.35 34
  160 15.72 157
  161 67.39 674
  162 13.41 134
  163 3.93 39
  164 5.2 52
  165 3.93 39
  166 10.17 102
  167 5.08 51
  173 8.43 84
  174 1.38 14
  175 21.04 210
  176 3.12 31
  177 8.43 84
  178 8.55 86
  179 21.61 216
  180 4.85 49
  189 1.61 16
  190 24.39 244
  191 5.66 57
  192 3.81 38
  193 26.93 269
  194 8.44 84
  195 31.56 316
  196 9.82 98
  201 1.38 14
  205 4.85 49
  206 3.12 31
  208 89.94 899
  209 14.1 141
  210 1.38 14
  219 25.08 251
  220 3.35 34
  234 15.95 160
  235 2.65 27
  252 15.26 153
  253 2.66 27
//
