ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006610
RECORD_TITLE: ISOMENTHONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOMENTHONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C1)CC(=O)C(C1)C(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
CH$LINK: INCHIKEY NFLGAXVYCFJBMK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80859154

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-07bo-9300000000-3f63fc6dbb3efa362d59
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 3.57 36
  26 1.23 12
  27 32.38 324
  29 22.51 225
  38 1.45 15
  39 37.79 378
  40 4.62 46
  41 86.52 865
  42 19.35 194
  43 33.71 337
  44 1.22 12
  51 3.03 30
  52 1.88 19
  53 9.96 100
  54 3.5 35
  55 57.51 575
  56 35.51 355
  57 5.78 58
  58 1.97 20
  65 2.1 21
  66 1.03 10
  67 7.12 71
  68 5.03 50
  69 67.46 675
  70 31.88 319
  71 3.92 39
  77 2.11 21
  79 2.83 28
  81 4.54 45
  82 1.52 15
  83 18.72 187
  84 10.83 108
  85 1.55 16
  93 2.52 25
  94 1.58 16
  95 16.23 162
  96 1.66 17
  97 22.33 223
  98 7.09 71
  109 1.66 17
  110 5.57 56
  111 21.94 219
  112 99.99 999
  113 6.83 68
  121 3.35 34
  125 4.16 42
  139 31.15 312
  140 2.63 26
  154 19.4 194
  155 1.71 17
//