ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005146
RECORD_TITLE: 10-ISOPROPYL-3,3-DIMETHYL-11-PHENYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO(B,E)(1,4)-DIAZEPIN-1-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$NAME: 10-ISOPROPYL-3,3-DIMETHYL-11-PHENYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO(B,E)(1,4)-DIAZEPIN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H28N2O
CH$EXACT_MASS: 360.22016
CH$SMILES: c(c4)ccc(c4)C(N(C(C)C)1)C(C(=O)3)=C(CC(C)(C)C3)Nc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C24H28N2O/c1-16(2)26-20-13-9-8-12-18(20)25-19-14-24(3,4)15-21(27)22(19)23(26)17-10-6-5-7-11-17/h5-13,16,23,25H,14-15H2,1-4H3
CH$LINK: INCHIKEY SEVRCRYZZRHOEP-UHFFFAOYSA-N
AC$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: splash10-0w29-3459000000-1c43a50e0b9ad8d0f243
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  39 5.61 56
  40 2.26 23
  41 12.92 129
  42 3.46 35
  43 13.35 134
  44 2.47 25
  51 3.98 40
  53 2.41 24
  55 9.11 91
  65 7.99 80
  76 2.48 25
  77 13.15 132
  78 3.63 36
  83 16.44 164
  89 3.07 31
  90 2.7 27
  91 13.37 134
  92 8.47 85
  93 3.18 32
  102 5.61 56
  103 4.43 44
  104 3.44 34
  105 2.41 24
  115 7.55 76
  116 4.62 46
  117 3.87 39
  118 3.51 35
  119 10.24 102
  127 4.79 48
  128 7.39 74
  129 9.16 92
  130 6.64 66
  131 6.53 65
  132 8.42 84
  133 14.39 144
  134 2.11 21
  141 2.63 26
  142 3.33 33
  143 4.64 46
  144 2.88 29
  145 2.39 24
  152 2.61 26
  155 3.48 35
  156 2.45 25
  157 3.72 37
  158 12.05 121
  159 6.41 64
  165 3.42 34
  167 2.23 22
  168 2.19 22
  169 3.34 33
  172 2.6 26
  173 3.16 32
  180 2.25 23
  181 2.45 25
  182 2.17 22
  183 3.34 33
  184 2.65 27
  185 5.32 53
  194 2.18 22
  195 4.17 42
  197 2.29 23
  199 2.18 22
  204 2.14 21
  206 2.01 20
  215 6.26 63
  216 2.24 22
  217 3.89 39
  218 5.9 59
  219 9.89 99
  220 4.96 50
  226 16.97 170
  227 4.88 49
  231 6.16 62
  232 6.1 61
  233 6.5 65
  234 2.62 26
  239 6.11 61
  241 15.49 155
  242 3.41 34
  245 5.57 56
  246 10.17 102
  247 2.86 29
  259 2.62 26
  261 17.81 178
  262 4.12 41
  267 4.66 47
  269 3.29 33
  273 2.12 21
  275 4.53 45
  276 7.43 74
  283 31.22 312
  284 7.37 74
  287 2.36 24
  289 4.94 49
  301 3.02 30
  302 99.99 999
  303 37.11 371
  304 9.37 94
  315 5.45 55
  317 58.89 589
  318 15.66 157
  319 2.09 21
  330 4.48 45
  345 32.95 330
  346 9.23 92
  359 11.22 112
  360 63.79 638
  361 18.72 187
  362 2.86 29
//
