ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006270
RECORD_TITLE: 3-(3,5-DICHLOROPHENYL)-N-ISOPROPYL-2,4-DIOXO-1-IMIDAZOLIDINECARBOXAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3-(3,5-DICHLOROPHENYL)-N-ISOPROPYL-2,4-DIOXO-1-IMIDAZOLIDINECARBOXAMIDE
CH$NAME: ROVRAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₃Cl₂N₃O₃
CH$EXACT_MASS: 329.03340
CH$SMILES: CC(C)NC(=O)N(C2)C(=O)N(C(=O)2)c(c1)cc(Cl)cc(Cl)1
CH$IUPAC: InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)
CH$LINK: COMPTOX DTXSID3024154
CH$LINK: INCHIKEY ONUFESLQCSAYKA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:37517

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-090c-9536000000-06f1737b4135ea75b9be
PK$NUM_PEAK: 124
PK$PEAK: m/z int. rel.int.
  14 2.05 21
  15 10.54 105
  26 2.5 25
  27 10.01 100
  28 7.76 78
  29 5.16 52
  30 4.04 40
  31 1.08 11
  37 1.43 14
  38 2.07 21
  39 6.1 61
  40 1.65 17
  41 14.67 147
  42 12.38 124
  43 58.73 587
  44 7.79 78
  45 0.9 9
  50 1.12 11
  51 0.98 10
  55 3.04 30
  56 32.95 330
  57 3.87 39
  58 28.86 289
  59 1.49 15
  60 0.8 8
  61 0.87 9
  62 1.39 14
  63 1.56 16
  64 1.03 10
  65 0.64 6
  67 0.7 7
  69 11.97 120
  70 16.7 167
  71 1.26 13
  73 1.95 20
  74 2.77 28
  75 1.99 20
  76 1.02 10
  77 0.8 8
  81 0.79 8
  83 0.91 9
  84 4.26 43
  85 1.04 10
  86 1.58 16
  87 1.53 15
  88 2.17 22
  89 0.86 9
  90 0.82 8
  97 2.77 28
  98 0.71 7
  99 2.25 23
  100 1.9 19
  109 1.64 16
  110 0.86 9
  119 2.71 27
  124 10.87 109
  125 1.5 15
  126 3.68 37
  127 1.31 13
  131 1.06 11
  135 1.08 11
  145 3.97 40
  146 0.66 7
  147 5.63 56
  148 0.54 5
  149 6.42 64
  150 2.63 26
  153 1.82 18
  157 1.51 15
  158 1.34 13
  159 3.19 32
  160 1.67 17
  161 3.88 39
  162 1.37 14
  163 1.64 16
  164 0.59 6
  166 0.97 10
  169 13.84 138
  170 0.59 6
  172 0.79 8
  174 1.62 16
  176 0.85 9
  181 1.96 20
  185 1.02 10
  187 30.79 308
  188 12.76 128
  189 20.45 205
  190 8.19 82
  191 3.9 39
  192 1.48 15
  216 13.13 131
  217 1.76 18
  218 8.42 84
  219 1.79 18
  220 1.53 15
  235 1.92 19
  243 0.83 8
  244 10.98 110
  245 17.53 175
  246 8.42 84
  247 11.64 116
  248 2.1 21
  249 1.95 20
  271 8 80
  272 1.06 11
  273 5.26 53
  274 0.8 8
  275 0.94 9
  285 1.99 20
  287 0.74 7
  289 0.5 5
  313 0.78 8
  314 99.99 999
  315 14.2 142
  316 64.53 645
  317 9.29 93
  318 11.32 113
  319 1.74 17
  329 5.84 58
  330 1.55 16
  331 3.8 38
  332 0.94 9
  333 0.71 7
  335 2.5 25
//