ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008944
RECORD_TITLE: 2-METHYLCYCLOPENTANONE (2,5,5-D3); 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$NAME: 2-METHYLCYCLOPENTANONE (2,5,5-D3)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O
CH$EXACT_MASS: 98.07316
CH$SMILES: [2H]C([2H])(C1)C(=O)C([2H])(C)C1
CH$IUPAC: InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3/i4D2,5D
CH$LINK: INCHIKEY ZIXLDMFVRPABBX-AFBAWBIXSA-N
AC$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: splash10-0006-9100000000-e63dd085d61c104055e9
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  26 2 20
  27 9.2 92
  28 16 160
  29 1.18 12
  30 18.2 182
  31 3.4 34
  32 1 10
  38 0.18 2
  39 8.9 89
  40 14.3 143
  41 16.7 167
  42 2.92 29
  43 99.99 999
  44 21.5 215
  45 6.4 64
  46 0.15 2
  50 1 10
  51 1.4 14
  52 1.6 16
  53 0.14 1
  54 2.3 23
  55 6.6 66
  56 25.3 253
  57 1.83 18
  58 15.1 151
  59 1.5 15
  69 20 200
  70 0.87 9
  71 18.4 184
  72 7.4 74
  73 7.1 71
  82 0.22 2
  83 4.1 41
  84 1.1 11
  85 3.5 35
  86 0.93 9
  99 1.2 12
  100 6.4 64
  101 42.1 421
  102 3.1 31
//
