ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010763
RECORD_TITLE: 5-HYDROXY-1-METHYLBICYCLO(4.3.0)NONANE-2,7-DIONE; 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$NAME: 5-HYDROXY-1-METHYLBICYCLO(4.3.0)NONANE-2,7-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₃
CH$EXACT_MASS: 182.09429
CH$SMILES: OC(C1)C(C(=O)2)C(C)(CC2)C(=O)C1
CH$IUPAC: InChI=1S/C10H14O3/c1-10-5-4-7(12)9(10)6(11)2-3-8(10)13/h6,9,11H,2-5H2,1H3
CH$LINK: INCHIKEY GKIBMSXDKANYOB-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$SPLASH: splash10-057m-9500000000-aefebd9cffc6a6d3de5d
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  26 4 40
  27 34.9 349
  28 25.1 251
  29 1.74 17
  31 4.3 43
  38 1.7 17
  39 25.3 253
  40 0.58 6
  41 47.3 473
  42 9.8 98
  43 52.2 522
  44 0.2 2
  45 2.1 21
  50 1.8 18
  51 5.6 56
  52 0.34 3
  53 14.5 145
  54 5.1 51
  55 28.4 284
  56 1.7 17
  57 7.8 78
  58 2.6 26
  59 1 10
  63 0.15 2
  65 3.9 39
  66 2.4 24
  67 8.9 89
  68 0.28 3
  69 44.3 443
  70 11 110
  71 17.1 171
  72 0.1 1
  77 6.2 62
  78 1.5 15
  79 20.1 201
  80 0.47 5
  81 12.3 123
  82 4.3 43
  83 14.6 146
  84 2.9 29
  85 5.1 51
  91 2.9 29
  93 6.3 63
  94 1.02 10
  95 37.8 378
  96 7.9 79
  97 50.6 506
  98 1.08 11
  99 3.5 35
  104 1.2 12
  107 4.8 48
  108 0.3 3
  109 39.6 396
  110 8.2 82
  111 10.9 109
  112 1.16 12
  113 21.9 219
  114 1.5 15
  121 5.4 54
  122 2.16 22
  123 19.3 193
  124 6.7 67
  125 99.99 999
  126 1.63 16
  136 4.6 46
  137 2.3 23
  139 3.7 37
  140 0.5 5
  154 1.7 17
  164 3.9 39
  165 1.8 18
  167 0.36 4
  182 84.2 842
  183 10.8 108
//