ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005149
RECORD_TITLE: 3,3-DIMETHYL-11-O-TOLYL-2,3,4,5-TETRAHYDRO-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$NAME: 3,3-DIMETHYL-11-O-TOLYL-2,3,4,5-TETRAHYDRO-1H-DIBENZO(B,E)(1,4)-DIAZEPIN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H22N2O
CH$EXACT_MASS: 330.17321
CH$SMILES: Cc(c4)c(ccc4)C(=N1)C(C(=O)3)=C(CC(C)(C)C3)Nc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C22H22N2O/c1-14-8-4-5-9-15(14)21-20-18(12-22(2,3)13-19(20)25)23-16-10-6-7-11-17(16)24-21/h4-11,23H,12-13H2,1-3H3
CH$LINK: INCHIKEY NDVVNGHRFCMKLV-UHFFFAOYSA-N
AC$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: splash10-000t-2397000000-1e88f659e08197de4c24
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  39 6.72 67
  41 6.8 68
  43 8.33 83
  51 4.07 41
  53 2.17 22
  55 4.84 48
  58 2.41 24
  63 3.6 36
  64 2.07 21
  65 7.29 73
  76 3.05 31
  77 10.13 101
  78 2.51 25
  83 4.94 49
  89 4.41 44
  90 2.7 27
  91 6.08 61
  92 3.56 36
  102 5.69 57
  103 3.37 34
  114 2.58 26
  115 12.79 128
  116 5.29 53
  117 2.15 22
  118 2.26 23
  119 2.9 29
  121 2.45 25
  122 3.43 34
  127 3.6 36
  128 7.57 76
  129 5.07 51
  130 2.77 28
  131 3.52 35
  132 2.13 21
  136 2.75 28
  139 2.22 22
  140 2.3 23
  141 3.09 31
  142 2.58 26
  143 5.39 54
  149 2.27 23
  150 6.21 62
  157 2.61 26
  165 11.53 115
  195 2.01 20
  203 2.07 21
  204 6.69 67
  205 3.61 36
  206 4.45 45
  207 5.97 60
  208 2.02 20
  209 2.72 27
  217 3.06 31
  218 3.79 38
  219 4.42 44
  229 3.54 35
  230 4.15 42
  231 13.37 134
  232 6.29 63
  233 3.3 33
  242 2.11 21
  243 4.83 48
  245 45.76 458
  246 99.99 999
  247 23.91 239
  248 2.76 28
  256 2.04 20
  257 2.5 25
  259 5.2 52
  271 2.64 26
  272 2.3 23
  273 10.87 109
  274 6.85 69
  275 3.01 30
  285 2.09 21
  287 5.8 58
  301 3.36 34
  302 24.75 248
  303 6.27 63
  313 17.65 177
  314 5.66 57
  315 62.11 621
  316 17.07 171
  317 2.39 24
  329 12.24 122
  330 59.16 592
  331 16.62 166
  332 2.37 24
//
