ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003515
RECORD_TITLE: O-CHLORODIAZEPAM; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: O-CHLORODIAZEPAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂Cl₂N₂O
CH$EXACT_MASS: 318.03267
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NCC(=O)N(C)2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
CH$LINK: INCHIKEY VPAYQWRBBOGGPY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30183138

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-015c-4695000000-bec70b233f58559505f4
PK$NUM_PEAK: 203
PK$PEAK: m/z int. rel.int.
  15 1.7 17
  18 1.8 18
  27 2.1 21
  28 2.9 29
  31 2.5 25
  36 2 20
  38 1.5 15
  39 0.64 6
  41 2.5 25
  42 6.4 64
  43 1.8 18
  45 0.18 2
  50 5 50
  51 7.5 75
  52 1.9 19
  55 0.21 2
  57 1.8 18
  58 2.1 21
  62 4.6 46
  63 1.04 10
  64 2.1 21
  65 2.5 25
  68 2 20
  69 0.19 2
  69.5 1.6 16
  71 1.5 15
  73 3.6 36
  74 0.51 5
  75 21.8 218
  75.5 2.8 28
  76 7.2 72
  77 0.71 7
  80 1.8 18
  81 7.1 71
  81.5 12.1 121
  82 1.05 11
  82.5 7.4 74
  83 1.4 14
  83.5 3.1 31
  86 0.24 2
  87 4.2 42
  88 4.8 48
  88.5 4.7 47
  89 1.83 18
  89.5 1.8 18
  90 5.2 52
  91 2.3 23
  92.5 0.14 1
  93 3.6 36
  94 2.4 24
  94.5 3.1 31
  95 0.33 3
  95.5 21.2 212
  96 9.1 91
  96.5 6.3 63
  97 0.18 2
  98 2.6 26
  99 8 80
  99.5 3.7 37
  100 0.47 5
  100.5 3.5 35
  101 3.2 32
  101.5 2.2 22
  102 1.15 12
  102.5 3.8 38
  103 2.9 29
  106 2.5 25
  106.5 0.22 2
  108 1.4 14
  108.5 2.1 21
  109 20.3 203
  109.5 2.19 22
  110 18.3 183
  110.5 2.7 27
  111 13.1 131
  112 0.41 4
  112.5 2.9 29
  113 6.2 62
  113.5 5.8 58
  114 0.54 5
  114.5 2 20
  115 2.2 22
  116 5 50
  117 0.87 9
  118 1.7 17
  119.5 2.7 27
  120 3.9 39
  120.5 0.17 2
  121 1.7 17
  123 4.4 44
  124 5.7 57
  125 1.86 19
  126 6 60
  126.5 3.3 33
  127 28.9 289
  127.5 1.29 13
  128 10.4 104
  128.5 4.2 42
  130.5 1.7 17
  134 0.44 4
  135 1.7 17
  136 3.1 31
  137 4.4 44
  138 0.54 5
  139 2.7 27
  140 2 20
  141 2.8 28
  141.5 0.36 4
  142 1.5 15
  145 3.2 32
  146 2.4 24
  149 0.37 4
  150 8.7 87
  151 8 80
  152 7.2 72
  153 0.19 2
  154 1.6 16
  159 3.8 38
  160 3.1 31
  161 0.19 2
  162 2.5 25
  163 11 110
  164 7.4 74
  165 11.9 119
  166 3 30
  175 2.3 23
  176 4.8 48
  177 1.57 16
  178 6.1 61
  179 3.9 39
  181 1.5 15
  186 0.3 3
  188 2 20
  190 4.6 46
  191 4.7 47
  192 0.37 4
  193 2.3 23
  198 1.8 18
  199 5.3 53
  200 0.19 2
  201 2.3 23
  203 2.5 25
  204 2.5 25
  205 0.47 5
  206 1.9 19
  211 2.1 21
  212 2.5 25
  213 0.3 3
  214 1.7 17
  218 1.9 19
  219 6 60
  220 0.23 2
  221 1.5 15
  226 2.9 29
  227 3.8 38
  228 0.19 2
  233 1.8 18
  238 4 40
  239 7.6 76
  240 0.43 4
  241 3.6 36
  242 1.5 15
  247 2 20
  248 0.71 7
  249 1.9 19
  253 6 60
  254 2.6 26
  255 3.89 39
  256 10.3 103
  257 13.1 131
  258 3.1 31
  262 0.17 2
  264 1.4 14
  267 1.7 17
  268 5.5 55
  269 0.22 2
  270 2.1 21
  273 2.7 27
  274 1.3 13
  275 0.97 10
  276 2.8 28
  277 5.8 58
  278 1.7 17
  279 0.14 1
  282 13 130
  283 87.8 878
  284 22.1 221
  285 3.06 31
  286 5.4 54
  289 33.3 333
  290 64.5 645
  291 3.88 39
  292 42.6 426
  293 14.9 149
  294 7.4 74
  295 0.23 2
  317 58.2 582
  318 99.99 999
  319 52.8 528
  320 6.54 65
  321 17.7 177
  322 11.2 112
  323 1.9 19
//