ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004074
RECORD_TITLE: 6-CHLORO-4-(ORTHO-CHLOROPHENYL)-2(1H)-QUINAZOLINONE; 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$NAME: 6-CHLORO-4-(ORTHO-CHLOROPHENYL)-2(1H)-QUINAZOLINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₈Cl₂N₂O
CH$EXACT_MASS: 290.00137
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(=O)N2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C14H8Cl2N2O/c15-8-5-6-12-10(7-8)13(18-14(19)17-12)9-3-1-2-4-11(9)16/h1-7H,(H,17,18,19)
CH$LINK: INCHIKEY FIKXZQLWVRAQOA-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$SPLASH: splash10-052f-4490000000-e3b222d74488f17f061d
PK$NUM_PEAK: 142
PK$PEAK: m/z int. rel.int.
  32 2.5 25
  36 5.1 51
  37 2.1 21
  38 5.1 51
  39 9.3 93
  41 5.2 52
  43 4.2 42
  44 0.18 2
  49 2.6 26
  50 15.6 156
  51 15.9 159
  52 0.5 5
  55 3.7 37
  56 1.7 17
  57 4.7 47
  61 0.4 4
  62 10.7 107
  63 18.6 186
  64 6.7 67
  65 0.36 4
  67 1.6 16
  68 1.8 18
  68.5 1.8 18
  69 0.32 3
  69.5 1.4 14
  70 1.7 17
  71 2.5 25
  72 0.15 2
  73 7 70
  74 12.3 123
  74.5 1.6 16
  75 3.9 39
  76 10.7 107
  77 8 80
  78 1.8 18
  81 0.2 2
  81.5 3.2 32
  82 6 60
  82.5 10 100
  83 0.27 3
  84 2 20
  85 4.7 47
  86 3.8 38
  86.5 0.16 2
  87 5.9 59
  87.5 1.5 15
  88 8 80
  88.5 0.2 2
  89 5.4 54
  90 5 50
  91 2.3 23
  93 0.24 2
  95 3.6 36
  95.5 7.2 72
  96 9.6 96
  96.5 0.32 3
  97 2.9 29
  98 5 50
  99 6.5 65
  99.5 0.77 8
  100 11.9 119
  100.5 3.7 37
  101 4.7 47
  102 2.27 23
  103 2.7 27
  105 1.6 16
  106 1.7 17
  109 0.24 2
  110 5.2 52
  111 10.4 104
  112 5.4 54
  112.5 0.13 1
  113 15 150
  114 7.9 79
  115 3.7 37
  116 0.23 2
  117 1.3 13
  118 1.8 18
  119 1.5 15
  123 0.24 2
  124 14.6 146
  125 5.3 53
  126 5.9 59
  127 2.12 21
  128 7.8 78
  129 1.9 19
  137 3.2 32
  138 1.92 19
  139 3.8 38
  140 6.5 65
  141 3.9 39
  144 0.29 3
  149 4.4 44
  150 5.9 59
  151 10.3 103
  152 0.25 3
  153 3.4 34
  163 4.2 42
  164 14.1 141
  165 0.78 8
  175 3 30
  176 3.7 37
  177 11.9 119
  178 0.43 4
  179 8.1 81
  181 3 30
  186 3.2 32
  191 0.9 9
  192 18.1 181
  193 5 50
  200 4.3 43
  213 0.47 5
  220 9.9 99
  221 2.3 23
  225 2.2 22
  226 0.65 7
  227 5.2 52
  228 2.9 29
  237 3.9 39
  248 5.44 54
  249 8.5 85
  250 35.8 358
  251 5.3 53
  252 6.4 64
  253 1.4 14
  254 6.4 64
  255 91.3 913
  256 1.71 17
  257 30.7 307
  258 5.2 52
  262 17.7 177
  263 0.31 3
  264 11.5 115
  265 1.9 19
  266 2.2 22
  289 5.31 53
  290 99.99 999
  291 48.6 486
  292 63.5 635
  293 1.58 16
  294 11.5 115
  295 2 20
//