ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006908
RECORD_TITLE: CARVYL 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$NAME: CARVYL PROPIONATE
CH$NAME: 2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXENYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O₂
CH$EXACT_MASS: 208.14633
CH$SMILES: CCC(=O)OC(C1)C(C)=CCC(C(C)=C)1
CH$IUPAC: InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3
CH$LINK: INCHIKEY DFVXNZOMAOGTBL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30861702

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$SPLASH: splash10-0a6u-9400000000-79a6d0ea4ebd40345e30
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  26 1.34 13
  27 20.37 204
  28 1.54 15
  29 54.35 544
  30 1.17 12
  39 18.08 181
  40 2.46 25
  41 28.31 283
  42 1.89 19
  43 8.31 83
  51 3.9 39
  52 2.4 24
  53 10.91 109
  54 2.5 25
  55 17.56 176
  56 1.81 18
  57 99.99 999
  58 3.03 30
  63 1.2 12
  65 5.8 58
  66 2.47 25
  67 5.92 59
  68 3.6 36
  69 2.58 26
  77 17.39 174
  78 4.35 44
  79 14.42 144
  80 5.75 58
  81 5.85 59
  82 3.78 38
  83 3.21 32
  84 19.62 196
  85 1.17 12
  91 30.12 301
  92 21.41 214
  93 25.95 260
  94 3.88 39
  95 2.87 29
  96 3.53 35
  97 2.12 21
  103 1.76 18
  104 1.22 12
  105 16.19 162
  106 6.92 69
  107 12.9 129
  108 6.48 65
  109 46.91 469
  110 3.9 39
  115 1.52 15
  117 2.32 23
  119 52.68 527
  120 5.28 53
  123 2.07 21
  124 1.25 13
  133 2.61 26
  134 17.96 180
  135 3.53 35
  137 3.01 30
  140 1.42 14
  152 39.84 398
  153 3.74 37
  165 4.72 47
//