ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004643
RECORD_TITLE: 3,7,7-TRIMETHYL-BICYCLO(4.1.0)HEPTAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3,7,7-TRIMETHYL-BICYCLO(4.1.0)HEPTAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(C2)C(=O)C(C(C2)1)C(C)(C)1
CH$IUPAC: InChI=1S/C10H16O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3
CH$LINK: INCHIKEY CNJLMVZFWLNOEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70339652
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03e9-3900000000-a73aaa47ab0783df6ee5
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  18 4.4 44
  67 4.9 49
  68 1.1 11
  70 4.97 50
  71 1 10
  73 1.4 14
  80 1.3 13
  81 1.77 18
  82 45.3 453
  83 1.8 18
  84 1.1 11
  93 0.41 4
  94 2.4 24
  95 4.6 46
  96 7 70
  97 0.36 4
  106 1.3 13
  109 17 170
  110 99.99 999
  111 0.16 2
  119 3.1 31
  121 1.4 14
  123 3 30
  124 2.38 24
  134 13.6 136
  135 1.9 19
  136 2.7 27
  137 0.56 6
  138 3.6 36
  150 7 70
  152 40.6 406
  153 1.68 17
  154 2.2 22
//
