ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006484
RECORD_TITLE: CEDRYL ACETATE; 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$NAME: CEDRYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈O₂
CH$EXACT_MASS: 264.20893
CH$SMILES: CC(=O)OC(C)(C3)C([H])(C1)C(C)(C)C([H])(C2)C(C3)(C([H])(C)C2)1
CH$IUPAC: InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17?/m1/s1
CH$LINK: INCHIKEY HQKQRXZEXPXXIG-WRHXGLHUSA-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$SPLASH: splash10-0fr6-8920000000-35337f7194d7f5f2aaa4
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  15 2.31 23
  27 3.51 35
  29 5.99 60
  39 5.08 51
  40 1.28 13
  41 34.64 346
  42 2.91 29
  43 92.48 925
  44 1.8 18
  45 1.22 12
  51 1.16 12
  53 7.14 71
  54 1 10
  55 20.71 207
  56 3.22 32
  57 3.43 34
  59 2.35 24
  61 1.61 16
  65 3.56 36
  66 1.27 13
  67 15.13 151
  68 2.57 26
  69 26.03 260
  70 2.23 22
  71 5.08 51
  72 1.35 14
  77 8.95 90
  78 2.41 24
  79 17.14 171
  80 3.34 33
  81 21.46 215
  82 6.57 66
  83 4.56 46
  84 1.38 14
  91 17.34 173
  92 5.71 57
  93 28.93 289
  94 9.06 91
  95 30.14 301
  96 5.54 55
  97 2.95 30
  99 2.68 27
  101 1.05 11
  103 1.09 11
  105 24.6 246
  106 6.74 67
  107 23.5 235
  108 8.38 84
  109 16.65 167
  110 2.57 26
  111 2.04 20
  115 1.07 11
  117 1.65 17
  118 1.28 13
  119 52.78 528
  120 11.47 115
  121 26.88 269
  122 10.83 108
  123 4.9 49
  124 1.07 11
  131 1.49 15
  133 14.28 143
  134 8.86 89
  135 13.58 136
  136 4.94 49
  137 2.47 25
  138 1.13 11
  145 1.17 12
  146 1.54 15
  147 18.08 181
  148 13.71 137
  149 13.09 131
  150 4.27 43
  151 8.45 85
  152 1.46 15
  161 32.76 328
  162 15.13 151
  163 3.95 40
  175 43.17 432
  176 15.39 154
  177 2.33 23
  189 17.88 179
  190 2.5 25
  204 99.99 999
  205 18.89 189
  206 1.72 17
  207 4.97 50
  222 1.57 16
//