ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006404
RECORD_TITLE: PERILLYL BUTYRATE; 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$NAME: PERILLYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O₂
CH$EXACT_MASS: 222.16198
CH$SMILES: CCCC(=O)OCC(C1)=CCC(C(C)=C)C1
CH$IUPAC: InChI=1S/C14H22O2/c1-4-5-14(15)16-10-12-6-8-13(9-7-12)11(2)3/h6,13H,2,4-5,7-10H2,1,3H3
CH$LINK: INCHIKEY HAQGPJPCMFOGLO-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$SPLASH: splash10-0006-9300000000-f078313250e8556c7c51
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  14 1.08 11
  26 1.25 13
  27 23.84 238
  28 3.21 32
  29 9.21 92
  31 1.46 15
  39 24.06 241
  40 5.49 55
  41 55.05 551
  42 6.62 66
  43 89.41 894
  44 2.5 25
  45 1.78 18
  51 4.26 43
  52 2.33 23
  53 20.16 202
  54 2.63 26
  55 15.52 155
  56 2.44 24
  57 1.94 19
  60 1.26 13
  63 1.32 13
  65 8.82 88
  66 6.3 63
  67 27.67 277
  68 53.09 531
  69 5.91 59
  70 1.65 17
  71 99.99 999
  72 3.25 33
  77 18.24 182
  78 9.78 98
  79 39.43 394
  80 8.69 87
  81 8.99 90
  82 1.45 15
  83 3.33 33
  84 3.65 37
  89 3.34 33
  91 71 710
  92 64.71 647
  93 51.48 515
  94 6.09 61
  95 2.28 23
  96 1.3 13
  103 1.67 17
  104 1.66 17
  105 34.39 344
  106 43.51 435
  107 9.34 93
  108 4.81 48
  109 11.39 114
  110 1.57 16
  115 1.49 15
  117 3.92 39
  118 1.4 14
  119 67.46 675
  120 6.84 68
  121 2.36 24
  123 1.33 13
  124 1.12 11
  133 4.76 48
  134 53.02 530
  135 9.75 98
  136 1.59 16
  137 1.32 13
  151 1.72 17
  152 21.16 212
  153 2.52 25
  222 2.65 27
//