ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008565
RECORD_TITLE: 3-METHYL-2-CYCLOHEXEN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3-METHYL-2-CYCLOHEXEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H10O
CH$EXACT_MASS: 110.07316
CH$SMILES: CC(C1)=CC(=O)CC1
CH$IUPAC: InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
CH$LINK: INCHIKEY IITQJMYAYSNIMI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8035186
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$SPLASH: splash10-001i-9100000000-1f14f50705992aa13677
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.16 12
  26 1.75 18
  27 11.21 112
  28 3.13 31
  29 1.37 14
  37 1.14 11
  38 3.88 39
  39 32.16 322
  40 3.92 39
  41 7.96 80
  42 4.87 49
  50 3.19 32
  51 4.43 44
  52 2.55 26
  53 9.29 93
  54 26.99 270
  55 2.73 27
  63 1.08 11
  65 1.77 18
  66 1.23 12
  67 8.09 81
  77 1.39 14
  79 1.61 16
  81 1.09 11
  82 99.99 999
  83 5.56 56
  110 35.33 353
  111 2.29 23
//
