ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010437
RECORD_TITLE: 3-(3,5-DICHLOROPHENYL)-N-ISOPROPYL-2,4-DIOXOIMIDAZOLIDINE-1-CARBOXAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: 3-(3,5-DICHLOROPHENYL)-N-ISOPROPYL-2,4-DIOXOIMIDAZOLIDINE-1-CARBOXAMIDE
CH$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$LINK: INCHIKEY ONUFESLQCSAYKA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024154

AC$INSTRUMENT: JEOL JMS-DX-303
AC$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$SPLASH: splash10-03xr-3449000000-5aaa9c29bcdf12721b52
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  39 1.47 15
  41 5.1 51
  42 4.39 44
  43 13.85 139
  56 14.51 145
  58 15.07 151
  62 1.05 11
  70 14.02 140
  84 3.22 32
  99 1.68 17
  109 1.07 11
  124 4.77 48
  126 1.63 16
  145 2.51 25
  147 1.98 20
  149 2.53 25
  153 1.18 12
  157 3.21 32
  158 2.66 27
  159 3.14 31
  160 1.22 12
  161 2.61 26
  162 1.28 13
  163 1.24 12
  166 1.1 11
  172 1.01 10
  174 1.81 18
  181 1.48 15
  187 21.97 220
  188 12.95 130
  189 16.53 165
  190 5.43 54
  191 3.49 35
  192 1.42 14
  195 1.32 13
  216 11.19 112
  217 1.18 12
  218 7.61 76
  219 1.24 12
  243 1.17 12
  244 12.32 123
  245 21.15 212
  246 11.24 112
  247 12.2 122
  248 3.13 31
  249 2.46 25
  271 8.32 83
  272 1.34 13
  273 6.5 65
  275 2.11 21
  287 1.11 11
  314 99.99 999
  315 15.01 150
  316 65.23 652
  317 10.32 103
  318 10.54 105
  319 1.57 16
  329 7.07 71
  330 1.8 18
  331 3.52 35
  333 1.19 12
//