ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006483
RECORD_TITLE: MENTHYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: MENTHYL ACETATE
CH$NAME: 2-ISOPROPYL-5-METHYLCYCLOHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CC(=O)OC(C1)C(CCC(C)1)C(C)C
CH$IUPAC: InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
CH$LINK: INCHIKEY XHXUANMFYXWVNG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20859153

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000y-9200000000-ac3e4875859b716d22de
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  15 1.96 20
  27 6.89 69
  28 1 10
  29 6.6 66
  39 6.67 67
  40 1.48 15
  41 29.48 295
  42 3.55 36
  43 99.99 999
  44 2.47 25
  45 1.01 10
  53 4.74 47
  54 3.38 34
  55 27.05 271
  56 4.86 49
  57 8.24 82
  58 1.19 12
  61 2.13 21
  65 1.38 14
  67 18.23 182
  68 7.35 74
  69 19.73 197
  70 3.16 32
  71 16.67 167
  77 2.27 23
  79 4.17 42
  80 5.83 58
  81 59.02 590
  82 27.43 274
  83 9.75 98
  84 1.41 14
  85 3.73 37
  86 1.09 11
  91 1.19 12
  93 1.62 16
  94 7.98 80
  95 99.19 992
  96 23.76 238
  97 3.33 33
  99 1.38 14
  109 7.42 74
  110 4.54 45
  111 1.28 13
  112 1.07 11
  113 3.7 37
  123 34.88 349
  124 2.81 28
  137 1.59 16
  138 57.13 571
  139 5.73 57
  141 1.68 17
//