ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004755
RECORD_TITLE: 2-(2-OXOPROPYL)CYCLOHEPTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2-(2-OXOPROPYL)CYCLOHEPTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O2
CH$EXACT_MASS: 168.11503
CH$SMILES: CC(=O)CC(C1)C(=O)CCCC1
CH$IUPAC: InChI=1S/C10H16O2/c1-8(11)7-9-5-3-2-4-6-10(9)12/h9H,2-7H2,1H3
CH$LINK: INCHIKEY UJSZNPKZSFYPBL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50337136
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0006-9400000000-40e5e526f02ead149e7b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  40 7.32 73
  41 20.3 203
  43 99.99 999
  55 41 410
  58 11.82 118
  67 10.28 103
  69 10.53 105
  71 9.51 95
  79 14.52 145
  81 8.35 84
  82 7.84 78
  83 11.18 112
  84 7.19 72
  93 7.71 77
  95 7.45 75
  96 14.01 140
  97 15.55 156
  98 35.34 353
  107 9.89 99
  108 11.31 113
  110 9.64 96
  111 40.23 402
  121 15.8 158
  122 9.25 93
  125 20.82 208
  135 11.69 117
  149 10.28 103
  150 26.47 265
  168 20.95 210
//
