ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007385
RECORD_TITLE: CIS-PARA-MENTHANE(3,3-D2); 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$NAME: CIS-PARA-MENTHANE(3,3-D2)
CH$NAME: CIS-1-METHYL-4-(1-METHYLETHYL)CYCLOHEXANE(3,3-D2)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀
CH$EXACT_MASS: 140.15650
CH$SMILES: CC(C)C([H])(C1)C([2H])([2H])CC([H])(C)C1
CH$IUPAC: InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3/t9-,10+/i6D2/m1/s1
CH$LINK: INCHIKEY CFJYNSNXFXLKNS-CUHIHYFZSA-N

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$SPLASH: splash10-0002-9100000000-4db492b9e04340761ea9
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  44 1.41 14
  55 16.72 167
  56 39.06 391
  57 23.28 233
  58 2.31 23
  68 2.15 22
  69 5.78 58
  70 8.07 81
  71 6.49 65
  72 1.01 10
  81 1.93 19
  82 7.34 73
  83 14.89 149
  84 3.81 38
  85 4.8 48
  96 1.1 11
  97 20.74 207
  98 56.25 563
  99 99.99 999
  100 10.25 103
  127 1.25 13
  142 22.5 225
  143 2.65 27
//