ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006979
RECORD_TITLE: PERILLYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PERILLYL ISOBUTYRATE
CH$NAME: 4-(1-METHYLETHENYL)-1-CYCLOHEXENYLMETHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O₂
CH$EXACT_MASS: 222.16198
CH$SMILES: CC(C)C(=O)OCC(C1)=CCC(C(C)=C)C1
CH$IUPAC: InChI=1S/C14H22O2/c1-10(2)13-7-5-12(6-8-13)9-16-14(15)11(3)4/h5,11,13H,1,6-9H2,2-4H3
CH$LINK: INCHIKEY KAQYLYYVKDTFRT-UHFFFAOYSA-N

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$SPLASH: splash10-0006-9300000000-ae62f01e72d4ca0de677
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  27 17.02 170
  29 5.96 60
  39 17.5 175
  40 4.84 48
  41 42.39 424
  42 3.76 38
  43 99.99 999
  44 2.65 27
  51 2.66 27
  52 1.85 19
  53 14.39 144
  54 1.47 15
  55 14.47 145
  56 1.55 16
  57 1.19 12
  65 7.11 71
  66 5.01 50
  67 20.93 209
  68 34.45 345
  69 4.36 44
  70 1.54 15
  71 57.97 580
  72 2.41 24
  77 14.58 146
  78 7.16 72
  79 29.76 298
  80 7.81 78
  81 8.65 87
  83 1.72 17
  84 2.12 21
  89 2.19 22
  91 54.85 549
  92 47.77 478
  93 39.58 396
  94 3.67 37
  95 1.43 14
  103 1.16 12
  105 25.53 255
  106 31.88 319
  107 7.97 80
  108 2.12 21
  109 5.51 55
  117 2.18 22
  119 53.57 536
  120 5.42 54
  121 1.68 17
  133 3.43 34
  134 44.77 448
  135 10 100
  151 1.28 13
  152 15.27 153
  153 1.58 16
  222 2.31 23
//