ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011347
RECORD_TITLE: 1,3,7-TRIHYDROXY-6-METHYLBICYCLO(4.3.0)NONANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,3,7-TRIHYDROXY-6-METHYLBICYCLO(4.3.0)NONANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₃
CH$EXACT_MASS: 186.12559
CH$SMILES: OC(C2)CC(O)(C1)C(C)(C2)C(O)C1
CH$IUPAC: InChI=1S/C10H18O3/c1-9-4-2-7(11)6-10(9,13)5-3-8(9)12/h7-8,11-13H,2-6H2,1H3
CH$LINK: INCHIKEY QNFLQEIYODCTMR-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9300000000-53efbb4371f912ba11dc
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  26 2.2 22
  27 43.3 433
  28 13.6 136
  29 39.2 392
  30 2.7 27
  31 17.4 174
  38 2 20
  39 36.7 367
  40 8.9 89
  41 74.9 749
  42 6.5 65
  43 99.99 999
  44 10.4 104
  45 7.9 79
  47 1.7 17
  50 2.5 25
  51 7.9 79
  52 4.2 42
  53 25.3 253
  54 8.2 82
  55 43.9 439
  56 7.9 79
  57 25.6 256
  58 10.9 109
  59 3.5 35
  63 2.7 27
  64 1.5 15
  65 9.4 94
  66 6.7 67
  67 36.2 362
  68 13.4 134
  69 24.3 243
  70 6.9 69
  71 16.4 164
  72 4.5 45
  73 2 20
  74 1.5 15
  77 15.1 151
  78 5.5 55
  79 31.3 313
  80 12.4 124
  81 39.7 397
  82 25.8 258
  83 18.4 184
  84 10.4 104
  85 20.1 201
  86 3.2 32
  87 1.2 12
  91 23.8 238
  92 9.9 99
  93 42.4 424
  94 21.6 216
  95 26.1 261
  96 14.1 141
  97 15.9 159
  98 26.6 266
  99 9.2 92
  100 3.2 32
  104 4.5 45
  105 6.5 65
  106 36.7 367
  107 23.8 238
  108 29 290
  109 24.3 243
  110 21.8 218
  111 38.7 387
  112 6.5 65
  113 9.4 94
  114 20.3 203
  115 4 40
  117 11.9 119
  118 1.5 15
  119 2.2 22
  121 9.9 99
  122 9.4 94
  123 4.2 42
  124 11.2 112
  125 10.7 107
  126 5.2 52
  127 4.5 45
  128 3.7 37
  129 2 20
  130 3 30
  131 2.2 22
  132 12.9 129
  133 3 30
  135 10.2 102
  136 1.5 15
  139 3 30
  140 6.7 67
  149 1.7 17
  150 38 380
  151 6 60
  153 5 50
  166 1.5 15
  168 11.4 114
  169 3 30
//