ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002810
RECORD_TITLE: 2-METHYL-3-(2-METHYLPHENYL)-4(3H)-QUINAZOLINONE; 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$NAME: 2-METHYL-3-(2-METHYLPHENYL)-4(3H)-QUINAZOLINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₄N₂O
CH$EXACT_MASS: 250.11061
CH$SMILES: Cc(c3)c(ccc3)N(C(C)=1)C(=O)c(c2)c(ccc2)N1
CH$IUPAC: InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3
CH$LINK: INCHIKEY JEYCTXHKTXCGPB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023279

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f79-8490000000-13cbb7614902871f6c7d
PK$NUM_PEAK: 189
PK$PEAK: m/z int. rel.int.
  37 1 10
  38 2 20
  39 16.2 162
  40 1.8 18
  41 6 60
  42 2.2 22
  43 1.8 18
  44 0.75 8
  45 1 10
  46 0.1 1
  47 1.2 12
  48 0.01 0
  49 1.5 15
  50 10 100
  51 10.6 106
  52 0.31 3
  53 2.2 22
  54 1 10
  55 2 20
  56 0.24 2
  57 2 20
  58 3 30
  59 1 10
  60 0.04 0
  61 1 10
  62 2.1 21
  63 7 70
  64 0.04 0
  65 22.4 224
  66 2.6 26
  67 1.8 18
  68 0.01 0
  69 1.9 19
  70 1 10
  71 1.2 12
  72 0.02 0
  73 2 20
  74 2.8 28
  75 6.2 62
  76 1.75 18
  77 15 150
  78 5.2 52
  79 3 30
  80 0.01 0
  81 1.4 14
  82 1 10
  83 0.2 2
  84 0.15 2
  85 1 10
  86 1 10
  87 1 10
  88 0.01 0
  89 9.1 91
  90 8.4 84
  91 37 370
  92 0.42 4
  93 1 10
  94 1 10
  95 0.5 5
  96 0.04 0
  97 0.1 1
  100 0.2 2
  101 1 10
  102 0.05 1
  103 3 30
  104 4.1 41
  105 2.1 21
  106 0.01 0
  107 1.7 17
  108 0.8 8
  109 1 10
  110 0.01 0
  111 0.2 2
  112 0.1 1
  114 1 10
  115 0.02 0
  116 6 60
  117 7 70
  118 1.5 15
  119 0.15 2
  120 2.9 29
  121 1.5 15
  122 0.4 4
  123 0.01 0
  124 1 10
  125 2 20
  126 1 10
  127 0.11 1
  128 1 10
  129 1.2 12
  130 2.5 25
  131 0.18 2
  132 17 170
  133 2.2 22
  134 0.5 5
  135 0.02 0
  136 0.4 4
  137 1 10
  138 0.5 5
  139 0.01 0
  140 1 10
  141 0.9 9
  142 0.4 4
  143 0.77 8
  144 2.4 24
  145 1.1 11
  146 1.4 14
  147 0.08 1
  148 0.4 4
  149 2.8 28
  150 1 10
  151 1.6 16
  152 0.29 3
  153 1.8 18
  154 1 10
  155 1 10
  156 0.09 1
  157 0.4 4
  158 0.1 1
  162 0.4 4
  163 0.01 0
  164 1 10
  165 2.6 26
  166 1.5 15
  167 0.1 1
  168 0.5 5
  176 0.4 4
  177 1 10
  178 0.18 2
  179 1.8 18
  180 4 40
  181 1.5 15
  182 0.04 0
  183 0.2 2
  189 0.5 5
  190 2 20
  191 0.09 1
  192 1.2 12
  193 1 10
  194 1 10
  195 0.18 2
  196 1 10
  197 1.7 17
  198 0.5 5
  203 0.05 1
  204 1 10
  205 2.9 29
  206 3.5 35
  207 0.05 1
  208 3 30
  209 1.5 15
  210 0.5 5
  211 0.15 2
  212 0.5 5
  213 0.2 2
  214 0.4 4
  215 0.05 1
  216 0.5 5
  217 6 60
  218 3 30
  219 0.16 2
  220 1 10
  221 2.9 29
  222 1 10
  223 0.01 0
  224 0.5 5
  230 0.5 5
  231 1.4 14
  232 0.25 3
  233 29.2 292
  234 9.5 95
  235 99.99 999
  236 0.2 2
  237 3 30
  238 1 10
  239 0.4 4
  240 0.05 1
  246 0.4 4
  247 1 10
  248 0.9 9
  249 0.81 8
  250 40 400
  251 8.1 81
  252 2 20
  253 0.24 2
  254 1 10
  255 1 10
  256 1 10
  257 0.05 1
//