ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006538
RECORD_TITLE: BORNYL 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$NAME: BORNYL BUTYRATE
CH$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$LINK: INCHIKEY VIPNQHBVIDJXJE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:97897

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$SPLASH: splash10-006y-9300000000-da808414063397acc563
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  27 17.53 175
  28 2.18 22
  29 10.53 105
  39 12.42 124
  40 2.01 20
  41 49.92 499
  42 6.51 65
  43 83.05 831
  44 2.37 24
  45 1.42 14
  51 1.15 12
  53 8.9 89
  54 1.37 14
  55 20.15 202
  56 1.35 14
  57 4.07 41
  60 1.6 16
  65 2.72 27
  66 1.18 12
  67 15.06 151
  68 7.21 72
  69 20.83 208
  70 1.96 20
  71 99.99 999
  72 5.24 52
  73 1.09 11
  77 7.2 72
  78 1.41 14
  79 10.25 103
  80 17.89 179
  81 19.22 192
  82 6.8 68
  83 6.78 68
  84 2.22 22
  91 7.21 72
  92 15.95 160
  93 53.79 538
  94 10.03 100
  95 94.93 949
  96 7.49 75
  97 2.26 23
  105 2.01 20
  107 10.21 102
  108 33.23 332
  109 40.71 407
  110 19.05 191
  111 5.72 57
  121 40.64 406
  122 3.36 34
  123 2.17 22
  125 1.18 12
  135 3.43 34
  136 53.58 536
  137 12.05 121
  138 1.18 12
  152 1.03 10
  153 2.89 29
  154 12.24 122
  155 1.63 16
  224 15.81 158
  225 2.37 24
//