ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003836
RECORD_TITLE: DIAZEPAM; 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$NAME: DIAZEPAM
CH$NAME: VALIUM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₃ClN₂O
CH$EXACT_MASS: 284.07164
CH$SMILES: Clc(c2)cc(C=1c(c3)cccc3)c(c2)N(C)C(=O)CN1
CH$IUPAC: InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
CH$LINK: INCHIKEY AAOVKJBEBIDNHE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020406

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$SPLASH: splash10-0a4i-3690000000-3c601fed832ff090653a
PK$NUM_PEAK: 168
PK$PEAK: m/z int. rel.int.
  40 2.9 29
  41 3.4 34
  42 5.7 57
  43 0.2 2
  44 3.3 33
  49 0.9 9
  50 8.2 82
  51 1.84 18
  52 4.1 41
  53 0.9 9
  55 1.9 19
  57 0.12 1
  61 1.9 19
  62 6.8 68
  63 15.4 154
  64 0.41 4
  65 8.6 86
  66 2.6 26
  67 1.1 11
  68 0.09 1
  69 1.9 19
  73 4.4 44
  74 9.4 94
  75 1.88 19
  76 12.1 121
  77 25.1 251
  78 3.9 39
  79 0.11 1
  81 2.1 21
  82 5.1 51
  83 1.1 11
  84 0.11 1
  85 2.1 21
  86 5.1 51
  87 7.4 74
  88 0.58 6
  89 19.8 198
  90 7.7 77
  91 13.9 139
  92 0.19 2
  93 0.9 9
  94 0.9 9
  95 1.1 11
  96 0.21 2
  97 3.7 37
  98 4.9 49
  99 7.1 71
  100 0.51 5
  101 3.9 39
  102 9.7 97
  103 5.9 59
  104 0.29 3
  105 1.1 11
  107 0.9 9
  108 0.9 9
  109 0.38 4
  110 14.9 149
  111 11.7 117
  112 4.9 49
  113 0.07 1
  114 6.4 64
  115 5.9 59
  116 8.7 87
  117 1.44 14
  118 2.9 29
  120 1.9 19
  121 1.1 11
  122 0.14 1
  123 3.9 39
  124 6.4 64
  125 15.9 159
  126 0.96 10
  127 10.9 109
  128 5.1 51
  129 1.9 19
  134 0.09 1
  135 0.9 9
  136 3.9 39
  137 5.9 59
  138 0.77 8
  139 7.1 71
  140 4.1 41
  141 1.1 11
  142 0.14 1
  143 0.9 9
  144 1.1 11
  146 1.1 11
  149 0.29 3
  150 11.4 114
  151 17.4 174
  152 17.9 179
  153 0.49 5
  154 1.9 19
  161 1.4 14
  162 2.7 27
  163 1.71 17
  164 11.1 111
  165 31.9 319
  166 8.7 87
  167 0.19 2
  173 0.9 9
  175 2.1 21
  176 3.9 39
  177 1.81 18
  178 11.4 114
  179 8.1 81
  180 2.2 22
  181 0.19 2
  186 1.9 19
  188 1.9 19
  189 1.1 11
  190 0.59 6
  191 5.7 57
  192 6.4 64
  193 11.4 114
  194 0.24 2
  199 5.1 51
  200 1.4 14
  201 2.2 22
  202 0.12 1
  203 1.7 17
  204 2.7 27
  205 12.4 124
  206 0.44 4
  207 1.1 11
  212 1.5 15
  213 5.7 57
  214 0.21 2
  215 3.1 31
  218 1.4 14
  219 5.4 54
  220 0.31 3
  221 17.9 179
  222 4.1 41
  226 1.7 17
  227 0.29 3
  228 11.1 111
  229 2.9 29
  230 3.4 34
  231 0.09 1
  233 0.9 9
  238 3.1 31
  239 10.9 109
  240 0.49 5
  241 15.4 154
  242 3.9 39
  243 5.1 51
  244 0.09 1
  248 3.4 34
  249 5.7 57
  250 0.9 9
  253 0.19 2
  254 1.7 17
  255 60.4 604
  256 99.99 999
  257 4.89 49
  258 38.1 381
  259 11.7 117
  260 1.9 19
  268 0.19 2
  269 0.9 9
  270 0.9 9
  282 2.4 24
  283 7.54 75
  284 59.9 599
  285 34.9 349
  286 19.9 199
  287 3.9 39
//