ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003513
RECORD_TITLE: LORAZEPAM; 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$NAME: LORAZEPAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₀Cl₂N₂O₂
CH$EXACT_MASS: 320.01193
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
CH$LINK: INCHIKEY DIWRORZWFLOCLC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023225

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$SPLASH: splash10-009i-6791000000-942b7493f1e9fc3d12be
PK$NUM_PEAK: 155
PK$PEAK: m/z int. rel.int.
  17 10.4 104
  18 43.4 434
  27 3.5 35
  28 4.9 49
  29 5.2 52
  36 4 40
  38 1.6 16
  39 0.47 5
  41 4.9 49
  43 6.9 69
  45 2.4 24
  50 1.45 15
  51 14.7 147
  52 3 30
  55 4.5 45
  56 0.16 2
  57 4.7 47
  58 1.7 17
  59 3.6 36
  60 0.19 2
  61 2.5 25
  62 5.9 59
  63 5.8 58
  64 0.15 2
  65 1.4 14
  67 1.5 15
  69 3 30
  70 0.23 2
  71 2.6 26
  73 3.8 38
  74 13.9 139
  74.5 0.26 3
  75 69.3 693
  75.5 2.8 28
  76 12.9 129
  77 0.9 9
  81 1.8 18
  83 1.7 17
  84 2.8 28
  85 0.52 5
  86 3.4 34
  87 4.3 43
  87.5 2.6 26
  88 0.68 7
  88.5 4.6 46
  89 2.4 24
  92 2.7 27
  92.5 0.19 2
  93 3.7 37
  95 1.4 14
  96 1.8 18
  97 0.15 2
  98 3.3 33
  99 7.7 77
  100 15.4 154
  101 0.82 8
  101.5 5.8 58
  102 24.4 244
  103 2.3 23
  105.5 0.36 4
  106 3.5 35
  106.5 2.2 22
  107 1.6 16
  109 0.23 2
  110 16.1 161
  110.5 1.6 16
  111 37.8 378
  112 1.32 13
  113 13.2 132
  114 3.4 34
  115 1.4 14
  118.5 0.14 1
  119 8.2 82
  119.5 11.6 116
  120 4.6 46
  120.5 0.39 4
  121 1.4 14
  122 1.3 13
  123 3.3 33
  124 0.3 3
  125 3.9 39
  126 3.2 32
  127 2.5 25
  133 0.16 2
  136 9.4 94
  137 16 160
  138 37 370
  139 0.77 8
  140 11.1 111
  141 1.7 17
  148 1 10
  149 1.02 10
  150 9.5 95
  151 6.9 69
  152 2.9 29
  153 0.16 2
  154 1.3 13
  160 1.5 15
  161 1.5 15
  162 0.16 2
  163 9.6 96
  164 1.9 19
  165 3.8 38
  174 0.22 2
  175 8.1 81
  176 17.3 173
  177 23.4 234
  178 0.45 5
  179 1.7 17
  185 1.7 17
  186 2.3 23
  202 0.93 9
  203 12 120
  204 10.7 107
  205 2.5 25
  210 0.25 3
  211 6.1 61
  212 4.1 41
  213 3.3 33
  214 0.17 2
  237 2.9 29
  238 5 50
  239 99.99 999
  240 18.1 181
  241 33.2 332
  242 5.7 57
  248 2.3 23
  250 0.15 2
  257 1.4 14
  267 17.9 179
  268 3.4 34
  269 0.61 6
  270 1.3 13
  273 22.2 222
  274 75.4 754
  275 2.74 27
  276 50.8 508
  277 11.1 111
  278 8.7 87
  279 0.21 2
  285 1.3 13
  291 12.5 125
  292 2.2 22
  293 0.8 8
  294 1.8 18
  295 1.5 15
  301 5.2 52
  302 6.23 62
  303 15.9 159
  304 41.9 419
  305 8.2 82
  306 0.73 7
  307 1.4 14
  320 2 20
  322 1.4 14
//