ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011864
RECORD_TITLE: 6,11-PHENYLIMINO-5,6-DIHYDROPYRROLO(1,2-C)(1,3)BENZODIAZEPIN-5-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIKI O, FAC, TECHNOLOGY, OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 6,11-PHENYLIMINO-5,6-DIHYDROPYRROLO(1,2-C)(1,3)BENZODIAZEPIN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₃N₃O
CH$EXACT_MASS: 287.10586
CH$SMILES: c(c5)ccc(c5)N(N31)C(c(c4)n(cc4)C(=O)3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C18H13N3O/c22-18-19-12-6-11-16(19)17-14-9-4-5-10-15(14)21(18)20(17)13-7-2-1-3-8-13/h1-12,17H
CH$LINK: INCHIKEY UNCFTRHPAZCHOC-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0pdr-9650000000-2e1783b0b9da57c4fa8a
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  50 20.4 204
  51 63.8 638
  52 14.2 142
  53 7.2 72
  54 4.5 45
  55 21.7 217
  56 10.8 108
  57 24 240
  58 5.3 53
  59 2.7 27
  60 5.8 58
  61 3.8 38
  62 6.9 69
  63 18.5 185
  64 20.3 203
  65 13.4 134
  66 7.5 75
  67 6.5 65
  68 3.6 36
  69 10.7 107
  70 7.4 74
  71 11.3 113
  73 3.4 34
  74 7 70
  75 10.9 109
  76 14.5 145
  77 90.8 908
  78 11.9 119
  79 4.9 49
  80 2.8 28
  81 6 60
  82 4.1 41
  83 7.6 76
  84 5.2 52
  85 6.6 66
  86 4 40
  87 4.6 46
  88 6.2 62
  89 6.5 65
  90 6.8 68
  91 15.3 153
  92 4.1 41
  93 8.1 81
  94 4 40
  95 4.9 49
  96 2.6 26
  97 4.2 42
  98 2.8 28
  99 4 40
  100 2.7 27
  101 9.7 97
  102 8.3 83
  103 6.5 65
  104 7.5 75
  105 11.3 113
  106 3.7 37
  107 2.6 26
  109 4.1 41
  111 2.4 24
  113 4.2 42
  114 7 70
  115 11.2 112
  116 6.1 61
  117 3.4 34
  119 4.1 41
  121 3 30
  125 2.9 29
  126 9.6 96
  127 21.4 214
  128 14 140
  129 14.6 146
  130 3.4 34
  139 2.6 26
  140 7.9 79
  141 4.2 42
  142 3.6 36
  143 4.4 44
  144 2.3 23
  145 2.4 24
  149 14.1 141
  151 3.8 38
  152 6.2 62
  153 9.2 92
  154 42.8 428
  155 11 110
  156 4.6 46
  166 4.5 45
  167 8.4 84
  168 14.7 147
  169 5.5 55
  179 6.5 65
  180 3.6 36
  182 18.1 181
  183 4 40
  184 4.6 46
  195 6.3 63
  196 4.7 47
  202 3.7 37
  229 4.2 42
  230 8.8 88
  231 18.5 185
  232 5.9 59
  245 6.6 66
  257 12.6 126
  258 88.7 887
  259 62.8 628
  260 10.1 101
  286 18.2 182
  287 99.99 999
  288 21 210
//