ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006347
RECORD_TITLE: 2-METHYLCYCLOHEXAN-1,3-DIONE; 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$NAME: 2-METHYLCYCLOHEXAN-1,3-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H10O2
CH$EXACT_MASS: 126.06808
CH$SMILES: O=C(C1)C(C)C(=O)CC1
CH$IUPAC: InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3
CH$LINK: INCHIKEY VSGJHHIAMHUZKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90152406
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0a6v-9100000000-f42b1ba9bd6ea75a904b
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  15 2.73 27
  26 4.42 44
  27 23.18 232
  29 7.93 79
  31 4.07 41
  35 1.39 14
  38 1.62 16
  39 13.63 136
  41 15.87 159
  42 57.73 577
  43 20.04 200
  44 5.98 60
  45 42.9 429
  46 1.57 16
  50 1.27 13
  51 1.61 16
  52 1.22 12
  53 5.49 55
  54 2.44 24
  55 99.99 999
  56 39.32 393
  57 12.21 122
  58 4.19 42
  59 0.73 7
  60 1.09 11
  67 1.77 18
  68 1.69 17
  69 8.97 90
  70 51.53 515
  71 8.58 86
  72 3.64 36
  73 6.93 69
  75 1.09 11
  77 1.39 14
  79 1.56 16
  80 1.18 12
  81 2.04 20
  83 31.78 318
  84 3.63 36
  85 2.38 24
  86 1.18 12
  87 7.99 80
  88 3.05 31
  89 18.49 185
  90 1.04 10
  91 1.09 11
  97 12.3 123
  98 68.93 689
  99 4.93 49
  101 1.77 18
  103 3.38 34
  107 1.33 13
  111 1.17 12
  117 1.58 16
  119 1.46 15
  121 1.23 12
  126 64.44 644
  127 5.61 56
//
