ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008839
RECORD_TITLE: KHUSILAL; 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$NAME: KHUSILAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O
CH$EXACT_MASS: 202.13577
CH$SMILES: O=CC(C2)=CC([H])(C(C=C)1)C([H])(C2)C(=C)CC1
CH$IUPAC: InChI=1S/C14H18O/c1-3-12-6-4-10(2)13-7-5-11(9-15)8-14(12)13/h3,8-9,12-14H,1-2,4-7H2/t12-,13+,14+/m0/s1
CH$LINK: INCHIKEY CYPSKZONDWFFBC-BFHYXJOUSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-00nf-8900000000-d003875f2762a0f1c0c2
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  39 46.9 469
  41 54.93 549
  51 20.38 204
  52 9.72 97
  53 26.6 266
  54 13.24 132
  55 16.57 166
  63 0.86 9
  65 26.72 267
  66 7.94 79
  67 26.98 270
  71 6.71 67
  77 59.9 599
  78 21.03 210
  79 76.75 768
  80 15.56 156
  81 16.5 165
  91 99.99 999
  92 22.46 225
  93 22.32 223
  94 5.94 59
  103 12 120
  104 8.52 85
  105 46.97 470
  106 9.51 95
  107 29.26 293
  115 19.54 195
  116 8.05 81
  117 44.92 449
  118 9.23 92
  119 39.17 392
  120 12.23 122
  121 5.9 59
  128 13.65 137
  129 17.11 171
  130 9.41 94
  131 35.7 357
  132 61.13 611
  133 33.9 339
  134 11.94 119
  141 5.64 56
  143 9.49 95
  144 5.1 51
  145 13.87 139
  146 7.04 70
  148 8.02 80
  155 6 60
  156 8.95 90
  157 5.94 59
  159 31.42 314
  160 7.16 72
  169 12.21 122
  171 6.22 62
  173 12.04 120
  174 7.47 75
  177 20.57 206
  184 7.85 79
  202 28.26 283
  203 1.37 14
//