ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002811
RECORD_TITLE: 7-CHLORO-1,3-DIHYDRO-3-HYDROXY-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 7-CHLORO-1,3-DIHYDRO-3-HYDROXY-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₁ClN₂O₂
CH$EXACT_MASS: 286.05091
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021087

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0699-7490000000-e90f4b8174c78110a07a
PK$NUM_PEAK: 211
PK$PEAK: m/z int. rel.int.
  29 7 70
  30 1 10
  31 6 60
  32 0.4 4
  35 2 20
  36 17 170
  37 3 30
  38 0.06 1
  39 14 140
  40 2 20
  41 11 110
  42 0.04 0
  43 12 120
  44 12.6 126
  45 5 50
  46 0.02 0
  47 2 20
  49 2.5 25
  50 19 190
  51 0.57 6
  52 9 90
  53 3 30
  54 1 10
  55 0.08 1
  56 6 60
  57 8 80
  58 2 20
  59 0.01 0
  60 3 30
  61 4 40
  62 6.5 65
  63 0.11 1
  64 4 40
  65 4 40
  66 2.6 26
  67 0.04 0
  68 1 10
  69 6.2 62
  70 5 50
  71 0.03 0
  72 2 20
  73 4.5 45
  74 14 140
  75 3.65 37
  76 19 190
  77 99.99 999
  78 16 160
  79 0.45 5
  80 1 10
  81 2 20
  82 2 20
  83 0.03 0
  84 2 20
  85 3 30
  86 5 50
  87 0.06 1
  88 6 60
  89 8.5 85
  90 2 20
  91 0.03 0
  92 2 20
  93 1 10
  94 1 10
  95 0.01 0
  96 2 20
  97 2.5 25
  98 4.5 45
  99 0.07 1
  100 15 150
  101 4.2 42
  102 5 50
  103 0.03 0
  104 2.5 25
  105 2.5 25
  106 2 20
  107 0.02 0
  108 0.5 5
  109 1 10
  110 1 10
  111 0.01 0
  112 1 10
  113 3.5 35
  114 3.5 35
  115 0.45 5
  116 7 70
  117 4.4 44
  118 2.6 26
  119 0.02 0
  120 1.5 15
  121 2 20
  122 2 20
  123 0.04 0
  124 4 40
  125 5 50
  126 7 70
  127 0.05 1
  128 3 30
  129 2 20
  130 1 10
  131 0.02 0
  132 0.1 1
  135 1 10
  136 8 80
  137 0.06 1
  138 5 50
  139 3 30
  140 2 20
  141 0.15 2
  142 0.1 1
  147 1 10
  148 1.2 12
  149 0.07 1
  150 17 170
  151 25 250
  152 9.5 95
  153 0.03 0
  154 1 10
  155 0.1 1
  161 1 10
  162 0.02 0
  163 8 80
  164 3.5 35
  165 4.5 45
  166 0.2 2
  167 1 10
  168 0.5 5
  174 1 10
  175 0.05 1
  176 18.1 181
  177 30 300
  178 15 150
  179 0.05 1
  180 3 30
  181 2.9 29
  182 0.5 5
  183 0.01 0
  184 0.5 5
  185 1 10
  186 2 20
  187 0.02 0
  188 2 20
  189 1 10
  190 2.6 26
  191 0.02 0
  192 2 20
  193 2 20
  194 2 20
  199 0.02 0
  200 0.5 5
  201 2 20
  202 4.5 45
  203 1.29 13
  204 15.9 159
  205 96.1 961
  206 16.5 165
  207 0.04 0
  208 3 30
  209 1 10
  210 2 20
  211 0.02 0
  212 2.2 22
  213 3 30
  214 7 70
  215 0.26 3
  216 2.9 29
  217 2 20
  218 1.5 15
  219 0.26 3
  220 1.8 18
  221 2 20
  222 0.1 1
  229 0.03 0
  230 0.5 5
  231 2 20
  232 0.5 5
  233 8.21 82
  234 14.5 145
  235 3.5 35
  236 1 10
  237 0.15 2
  238 3.5 35
  239 70 700
  240 31.5 315
  241 3.09 31
  242 13.5 135
  243 5 50
  244 4.8 48
  245 0.26 3
  246 1.5 15
  247 0.5 5
  253 2 20
  254 0.01 0
  255 3 30
  256 2 20
  257 10 100
  258 0.02 0
  259 4 40
  260 1 10
  261 0.4 4
  266 0.05 1
  267 59 590
  268 47.5 475
  269 28.5 285
  270 0.19 2
  271 4 40
  272 1.5 15
  273 0.5 5
  286 0.25 3
  287 0.8 8
  288 1.5 15
  289 0.2 2
//