ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007394
RECORD_TITLE: CARVOMENTHONE; 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$NAME: CARVOMENTHONE
CH$NAME: 2-METHYL-5-(1-METHYLETHYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C)C(C1)CC(=O)C(C)C1
CH$IUPAC: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3
CH$LINK: CAS 59471-80-6
CH$LINK: INCHIKEY GCRTVIUGJCJVDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90862053

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-03di-6900000000-d86da6586d8aa7885a2c
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  55 28.36 284
  56 4.04 40
  69 10.14 101
  70 2.83 28
  71 1.2 12
  72 2.53 25
  81 2.18 22
  82 6.55 66
  83 16.89 169
  84 5.43 54
  95 8.84 88
  96 6.4 64
  97 11.37 114
  98 1.65 17
  110 11.94 119
  111 99.99 999
  112 10.37 104
  125 2.92 29
  126 2.47 25
  154 26.74 267
  155 3.04 30
//