ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005148
RECORD_TITLE: 3-(2-ISOPROPYLAMINOANILINO)-5,5-DIMETHYL-2-CYCLOHEXEN-E-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-(2-ISOPROPYLAMINOANILINO)-5,5-DIMETHYL-2-CYCLOHEXEN-E-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H24N2O
CH$EXACT_MASS: 272.18886
CH$SMILES: CC(C)Nc(c2)c(ccc2)NC(=C1)CC(C)(C)CC(=O)1
CH$IUPAC: InChI=1S/C17H24N2O/c1-12(2)18-15-7-5-6-8-16(15)19-13-9-14(20)11-17(3,4)10-13/h5-9,12,18-19H,10-11H2,1-4H3
CH$LINK: INCHIKEY AKAQOFZTVJADDM-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
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: splash10-00si-5950000000-240fd57cd4b2a30d1259
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  39 23.28 233
  40 3.41 34
  41 32.87 329
  42 9.09 91
  43 21.79 218
  44 4.03 40
  51 5.91 59
  52 4.83 48
  53 9.68 97
  55 23.93 239
  56 5.16 52
  57 7.51 75
  58 5.53 55
  65 22.99 230
  66 5.64 56
  67 11.79 118
  68 4.57 46
  69 12.26 123
  71 3.11 31
  77 18.16 182
  78 6.23 62
  79 8.06 81
  80 9.04 90
  81 6.12 61
  83 61.89 619
  84 4.92 49
  90 3.38 34
  91 10.35 104
  92 22.33 223
  93 16.96 170
  94 3.01 30
  97 4.1 41
  100 4.81 48
  103 3.65 37
  104 5.5 55
  105 3.74 37
  106 3.31 33
  107 7.69 77
  108 3.81 38
  109 3.43 34
  117 7.25 73
  118 9.21 92
  119 39.02 390
  120 4.76 48
  129 3.9 39
  130 9.69 97
  131 18.16 182
  132 97.17 972
  133 99.99 999
  134 11.38 114
  135 3.93 39
  143 4.01 40
  144 6.2 62
  145 27.73 277
  146 8.24 82
  147 4.68 47
  149 21 210
  157 5.15 52
  158 5.93 59
  159 32.19 322
  160 7.33 73
  169 3.24 32
  171 4.93 49
  172 4.6 46
  173 41.01 410
  174 88.47 885
  175 19.74 197
  183 3.09 31
  185 3.45 35
  187 4.07 41
  199 9.36 94
  200 4.48 45
  201 18.1 181
  213 3.23 32
  214 3.58 36
  215 90.9 909
  216 47.63 476
  217 6.85 69
  229 9.64 96
  255 3.09 31
  257 60.43 604
  258 12.54 125
  271 3.3 33
  272 80.95 810
  273 17.86 179
  274 2.9 29
//
