ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006914
RECORD_TITLE: ALPHA-TERPINYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-TERPINYL PROPIONATE
CH$NAME: ALPHA,ALPHA,4-TRIMETHYL-3-CYCLOHEXENEMETHYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₂O₂
CH$EXACT_MASS: 210.16198
CH$SMILES: CCC(=O)OC(C)(C)C(C1)CC=C(C)C1
CH$IUPAC: InChI=1S/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3
CH$LINK: INCHIKEY CMKQOKAXUWQAHG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3044833

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$SPLASH: splash10-059f-9500000000-efa383b242ac218473ab
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  27 8.75 88
  29 25.56 256
  31 1.35 14
  39 7.03 70
  40 1.54 15
  41 20.98 210
  42 1.61 16
  43 13.29 133
  51 1.52 15
  53 7.92 79
  55 7.7 77
  56 1.06 11
  57 76.51 765
  58 2.54 25
  59 3.78 38
  65 2.11 21
  66 1.09 11
  67 11.08 111
  68 8.6 86
  69 9.83 98
  71 1.05 11
  77 9.03 90
  78 1.91 19
  79 12.65 127
  80 7.55 76
  81 22.69 227
  82 1.54 15
  91 8.19 82
  92 15.7 157
  93 70.06 701
  94 9.66 97
  95 11.14 111
  105 3.58 36
  107 11.87 119
  108 6.04 60
  115 1.78 18
  121 99.99 999
  122 9.71 97
  123 2.36 24
  136 77.13 771
  137 18.71 187
  138 1.36 14
  139 3.47 35
  195 1.33 13
//