ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006409
RECORD_TITLE: TERPINYL 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$NAME: TERPINYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₄O₂
CH$EXACT_MASS: 224.17763
CH$SMILES: CCCC(=O)OC(C)(C)C([H])(C1)CC=C(C)C1
CH$IUPAC: InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1
CH$LINK: INCHIKEY LWKWNIYBQLKBMQ-LBPRGKRZSA-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$SPLASH: splash10-0076-9500000000-a12ab74e1c6ec7dd4e83
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  27 12.12 121
  29 6.43 64
  31 1.69 17
  39 8.23 82
  40 2.07 21
  41 34.02 340
  42 3.75 38
  43 54.1 541
  44 1.92 19
  45 1.2 12
  51 1.8 18
  52 1.12 11
  53 7.39 74
  54 1.15 12
  55 7.63 76
  59 4.38 44
  60 2 20
  65 2.85 29
  66 1.32 13
  67 13.36 134
  68 8.41 84
  69 9.99 100
  71 59.52 595
  72 2.58 26
  73 1.07 11
  77 7.71 77
  78 2.08 21
  79 13.29 133
  80 6.42 64
  81 27.28 273
  82 2.27 23
  91 7.27 73
  92 17.09 171
  93 67.07 671
  95 9.79 98
  105 3.48 35
  106 1.01 10
  107 10.01 100
  108 5.87 59
  109 1.19 12
  119 1.1 11
  121 99.99 999
  122 8.73 87
  123 2.17 22
  129 1.36 14
  136 75.44 754
  137 21.45 215
  138 1.73 17
  139 1.5 15
  209 1.84 18
//