ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007382
RECORD_TITLE: TRANS-MENTHONE; 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$NAME: TRANS-MENTHONE
CH$NAME: TRNS-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C1)CC(=O)C(C1)C(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
CH$LINK: CAS 89-80-5
CH$LINK: INCHIKEY NFLGAXVYCFJBMK-BDAKNGLRSA-N
CH$LINK: COMPTOX DTXSID3044384

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-7900000000-72f9ad70ae1001e21eaf
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  55 17.59 176
  56 15.5 155
  57 3.56 36
  58 1.12 11
  67 1.85 19
  68 1.99 20
  69 38 380
  70 20.11 201
  71 2.85 29
  79 1.2 12
  81 2.66 27
  83 15.94 159
  84 11.35 114
  85 1.63 16
  93 2.33 23
  94 1.95 20
  95 10.52 105
  96 1.22 12
  97 18.57 186
  98 7.51 75
  109 1.61 16
  110 5.71 57
  111 20.69 207
  112 99.99 999
  113 7.48 75
  121 4.09 41
  125 5.79 58
  139 38.98 390
  140 3.9 39
  154 28.04 280
  155 3.16 32
//