ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004075
RECORD_TITLE: ORTHO-CHLORO-3-METHOXYDIAZEPAM; 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$NAME: ORTHO-CHLORO-3-METHOXYDIAZEPAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₄Cl₂N₂O₂
CH$EXACT_MASS: 348.04323
CH$SMILES: COC(N=1)C(=O)N(C)c(c3)c(cc(Cl)c3)C1c(c2)c(Cl)ccc2
CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c1-21-14-8-7-10(18)9-12(14)15(20-16(23-2)17(21)22)11-5-3-4-6-13(11)19/h3-9,16H,1-2H3
CH$LINK: INCHIKEY NUPVEWMVMAZQIC-UHFFFAOYSA-N

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$SPLASH: splash10-0a4i-3879000000-0ff801e73ea82b02d6da
PK$NUM_PEAK: 171
PK$PEAK: m/z int. rel.int.
  39 3.6 36
  42 3.1 31
  43 1.4 14
  45 1.5 15
  50 3.4 34
  51 6 60
  58 1.9 19
  62 0.26 3
  63 7.1 71
  64 1.6 16
  65 1.4 14
  70 0.41 4
  73 2.6 26
  74 3.1 31
  75 14.9 149
  75.5 0.2 2
  76 6.6 66
  77 5.1 51
  81 5.3 53
  82 0.66 7
  83 3.1 31
  86 1.7 17
  87 2.9 29
  88 0.32 3
  89 8.4 84
  90 3.1 31
  93 2.8 28
  95 1.29 13
  96 6.1 61
  96.5 8.3 83
  97 2 20
  98 0.15 2
  99 4.8 48
  100 4.9 49
  101 3.2 32
  102 0.63 6
  102.5 1.8 18
  103 4.4 44
  104 1.8 18
  105 0.15 2
  106.5 2.2 22
  110 2 20
  111 7.6 76
  112 0.25 3
  113 4.6 46
  113.5 7.8 78
  114 10.6 106
  114.5 0.37 4
  115 4.2 42
  116 2.3 23
  117 11.5 115
  117.5 0.28 3
  118 1.7 17
  123 2 20
  124 4.2 42
  125 1.38 14
  126 3.8 38
  127 5.5 55
  127.5 2.1 21
  128 0.16 2
  131 1.4 14
  135 6.9 69
  136 3.8 38
  137 0.22 2
  138 5.4 54
  139 14.7 147
  140 5.4 54
  141 0.51 5
  142 2 20
  149 3.5 35
  150 7.4 74
  151 0.86 9
  152 14.2 142
  153 3.4 34
  154 2 20
  156 0.18 2
  162 1.9 19
  163 7.8 78
  164 7.1 71
  165 1.52 15
  166 5.2 52
  167 2 20
  168 7.9 79
  170 0.22 2
  174 3.2 32
  175 3.2 32
  176 4.4 44
  177 1.03 10
  178 5.9 59
  179 2.2 22
  180 2 20
  186 0.28 3
  188 1.6 16
  190 2.8 28
  191 4.3 43
  192 0.59 6
  193 10 100
  194 2.2 22
  195 1.9 19
  196 0.27 3
  198 1.9 19
  199 5.9 59
  200 1.8 18
  201 0.3 3
  206 4.2 42
  209 20.2 202
  210 4.2 42
  211 0.99 10
  212 3.7 37
  213 11.2 112
  214 2.9 29
  215 0.38 4
  221 13.2 132
  222 2.6 26
  223 2.9 29
  225 0.14 1
  226 2.6 26
  227 10.4 104
  228 23.7 237
  229 0.7 7
  230 7.7 77
  231 1.4 14
  235 3.2 32
  237 1.8 18
  239 1.5 15
  240 1.5 15
  241 2 20
  247 0.34 3
  248 1.9 19
  249 3.6 36
  250 1.5 15
  254 0.18 2
  255 2 20
  256 13.5 135
  257 3 30
  258 0.43 4
  262 16 160
  263 3.6 36
  264 10.5 105
  265 0.22 2
  266 2 20
  269 7.4 74
  270 2.5 25
  271 0.29 3
  276 3.8 38
  278 2.7 27
  283 2.3 23
  285 0.4 4
  287 1.4 14
  289 3.1 31
  290 1.6 16
  291 0.44 4
  292 1.4 14
  293 1.9 19
  305 99.99 999
  306 1.69 17
  307 65.3 653
  308 10.8 108
  309 11.5 115
  310 0.18 2
  313 4.1 41
  315 1.4 14
  319 3.6 36
  320 0.44 4
  321 2.8 28
  322 2.7 27
  348 35 350
  349 0.76 8
  350 23.3 233
  351 4.5 45
  352 4.1 41
//