ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004073
RECORD_TITLE: DIAZEPAM; 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$NAME: DIAZEPAM
CH$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$LINK: COMPTOX DTXSID4020406
CH$LINK: INCHIKEY AAOVKJBEBIDNHE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3016

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$SPLASH: splash10-0a59-1290000000-da27f63bddb3263e0063
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
  31 1.6 16
  39 4.2 42
  41 1.3 13
  42 3.4 34
  50 3.4 34
  51 8.9 89
  52 2 20
  62 0.23 2
  63 7.5 75
  64 1.5 15
  65 4.3 43
  73 0.18 2
  74 2.7 27
  75 7.5 75
  76 6.5 65
  77 1.48 15
  81 1.9 19
  81.5 3.1 31
  82 3.5 35
  82.5 0.29 3
  83.5 2.7 27
  86 1.3 13
  87 2.4 24
  88 0.25 3
  88.5 1.6 16
  89 10.4 104
  90 3.8 38
  91 0.75 8
  95.5 4.8 48
  96 2.1 21
  96.5 4.7 47
  97 0.18 2
  98 1.4 14
  99 2.7 27
  101 1.9 19
  102 0.43 4
  102.5 1.9 19
  103 3.4 34
  104 1.6 16
  109 0.26 3
  109.5 3.4 34
  110 11.7 117
  110.5 5.3 53
  111 0.55 6
  112 1.8 18
  113 2.9 29
  114 3.4 34
  115 0.24 2
  116 4.8 48
  117 8.2 82
  118 2.5 25
  120 0.15 2
  123 1.6 16
  124 3.6 36
  125 7.7 77
  126 0.42 4
  127 6.7 67
  128 4.1 41
  129 1.4 14
  136 0.18 2
  137 2.2 22
  138 2.9 29
  139 2.5 25
  140 0.2 2
  142 1.5 15
  149 1.5 15
  150 5.3 53
  151 0.78 8
  152 9.2 92
  153 2.2 22
  163 7 70
  164 0.57 6
  165 14.3 143
  166 3.5 35
  167 1.3 13
  176 0.18 2
  177 9.1 91
  178 5.6 56
  179 3.9 39
  180 0.27 3
  190 3 30
  191 3 30
  192 4.7 47
  193 0.75 8
  194 2.5 25
  199 2.2 22
  203 1.5 15
  204 0.17 2
  205 6.6 66
  206 2.8 28
  213 3.3 33
  214 0.17 2
  215 1.7 17
  219 4.6 46
  220 2.5 25
  221 2.79 28
  222 7.6 76
  223 3 30
  227 2.3 23
  228 0.83 8
  229 2.1 21
  230 3.1 31
  233 1.4 14
  238 0.34 3
  239 6.6 66
  240 3.3 33
  241 9.1 91
  242 0.33 3
  243 3.3 33
  244 1.4 14
  248 5.2 52
  249 0.66 7
  250 1.5 15
  253 1.4 14
  255 36 360
  256 99.99 999
  257 42.1 421
  258 38 380
  259 11 110
  260 0.15 2
  268 3.6 36
  269 1.5 15
  270 1.7 17
  271 1.9 19
  282 2.3 23
  283 88.7 887
  284 80 800
  285 4.3 43
  286 27.7 277
  287 5.2 52
//