ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008939
RECORD_TITLE: 2,4-DIMETHYLCYCLOPENTANONE; 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$NAME: 2,4-DIMETHYLCYCLOPENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O
CH$EXACT_MASS: 112.08882
CH$SMILES: CC(C1)CC(=O)C(C)1
CH$IUPAC: InChI=1S/C7H12O/c1-5-3-6(2)7(8)4-5/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY UKJQTRVEZWBIRE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90920662
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9000000000-abadae65c63a73011f24
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  28 1.9 19
  29 1.9 19
  41 17.8 178
  42 6.35 64
  43 8.1 81
  55 28.4 284
  56 13.8 138
  57 0.12 1
  68 3.3 33
  69 99.99 999
  70 15.2 152
  71 0.15 2
  79 1.8 18
  83 9.8 98
  84 3.9 39
  94 0.35 4
  97 21.8 218
  98 1.6 16
  111 2 20
  112 4.84 48
  113 3.7 37
//
