ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006510
RECORD_TITLE: BORNYL PENTANOATE; 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$NAME: BORNYL PENTANOATE
CH$NAME: BORNYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₂
CH$EXACT_MASS: 238.19328
CH$SMILES: CCCCC(=O)OC(C1)C(C)(C2)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3
CH$LINK: INCHIKEY ILUAVCBOWYHFAI-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$SPLASH: splash10-0a4u-9200000000-860b3b7bc0b14cb28ea4
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  14 3.91 39
  15 1.17 12
  18 3.17 32
  27 15.82 158
  28 8.34 83
  29 15.94 159
  39 6.9 69
  41 69.06 691
  42 9.06 91
  43 25.66 257
  44 2.3 23
  45 2.44 24
  50 2.09 21
  51 4.03 40
  52 2.92 29
  53 12.27 123
  54 3.29 33
  55 23.18 232
  56 3.79 38
  57 99.99 999
  58 4.48 45
  59 1.51 15
  60 3.03 30
  63 1.06 11
  65 5.88 59
  66 3.57 36
  67 20.37 204
  68 10.37 104
  69 22.99 230
  70 2.94 29
  71 1.54 15
  72 1 10
  77 12.48 125
  78 3.43 34
  79 16.02 160
  80 17.08 171
  81 26.55 266
  82 6.49 65
  83 9.51 95
  84 2.43 24
  85 88.73 887
  86 4.68 47
  87 1.03 10
  91 12.62 126
  92 12.99 130
  93 52.23 522
  94 11.6 116
  95 75.65 757
  96 6.52 65
  97 3.13 31
  105 4.35 44
  106 1.15 12
  107 11.14 111
  108 32.06 321
  109 32.35 324
  110 16.22 162
  111 4.59 46
  119 2.3 23
  121 31.91 319
  122 4.45 45
  123 1.77 18
  125 1.86 19
  135 3.98 40
  136 37.13 371
  137 15.2 152
  138 2.21 22
  152 3.31 33
  153 4.45 45
  154 7.26 73
  155 1.25 13
  238 8.16 82
  239 2.44 24
//