ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006405
RECORD_TITLE: ISOBORNYL 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$NAME: ISOBORNYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₄O₂
CH$EXACT_MASS: 224.17763
CH$SMILES: CCCC(=O)OC(C1)C(C)(C2)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3
CH$LINK: INCHIKEY VIPNQHBVIDJXJE-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$SPLASH: splash10-006x-9400000000-55433f9b19266384724c
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  27 18.41 184
  28 2.22 22
  29 11.12 111
  39 13.65 137
  40 2.85 29
  41 52.29 523
  42 5.75 58
  43 82.41 824
  44 2.84 28
  45 1.53 15
  51 1.38 14
  53 9.26 93
  54 1.77 18
  55 21.66 217
  56 1.57 16
  57 4.23 42
  60 2.23 22
  65 2.8 28
  66 1.37 14
  67 16.61 166
  68 8.35 84
  69 21.83 218
  70 2.01 20
  71 99.99 999
  72 5.99 60
  73 1.11 11
  77 6.67 67
  78 1.36 14
  79 10.45 105
  80 6.54 65
  81 19.35 194
  82 8.69 87
  83 6.45 65
  84 2.34 23
  91 5.84 58
  92 10.1 101
  93 38.81 388
  94 6.21 62
  95 81.81 818
  96 6.56 66
  97 2.4 24
  105 2.04 20
  107 9.07 91
  108 39.56 396
  109 36.18 362
  110 24.25 243
  111 5.34 53
  121 39.05 391
  122 3.36 34
  123 1.85 19
  135 3.36 34
  136 71.26 713
  137 18.36 184
  138 1.37 14
  139 2.39 24
  152 1.11 11
  153 3.27 33
  154 13.02 130
  155 1.54 15
  224 3.03 30
//