ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004148
RECORD_TITLE: N,N'-DI(PARA-CHLOROPHENYL)UREA; 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$NAME: N,N'-DI(PARA-CHLOROPHENYL)UREA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀Cl₂N₂O
CH$EXACT_MASS: 280.01702
CH$SMILES: O=C(Nc(c2)ccc(Cl)c2)Nc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C13H10Cl2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
CH$LINK: INCHIKEY ZNQCSLYENQIUMJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70153436

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$SPLASH: splash10-004i-4900000000-4e8e842bcb63f0b75c7b
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  25 0.1 1
  26 0.5 5
  27 1 10
  28 0.18 2
  29 0.8 8
  30 0.1 1
  31 0.6 6
  35 0.02 0
  36 0.4 4
  37 1.7 17
  38 3 30
  39 0.52 5
  40 1 10
  41 1.5 15
  42 0.6 6
  43 0.03 0
  44 0.3 3
  45 0.5 5
  46 0.2 2
  47 0.04 0
  48 0.2 2
  49 1 10
  50 2.7 27
  51 0.23 2
  52 1.8 18
  53 0.2 2
  54 0.5 5
  55 0.01 0
  60 0.3 3
  61 1.4 14
  62 2.8 28
  63 0.88 9
  64 5 50
  65 9 90
  66 1.2 12
  67 0.08 1
  71 0.1 1
  72 0.6 6
  73 4.6 46
  74 0.14 1
  75 6 60
  76 1.2 12
  77 0.5 5
  78 0.04 0
  79 0.1 1
  84 0.3 3
  85 0.6 6
  86 0.03 0
  87 0.6 6
  88 0.7 7
  89 2 20
  90 0.74 7
  91 4.4 44
  92 8.2 82
  93 0.5 5
  97 0.04 0
  98 0.7 7
  99 9.2 92
  100 4.4 44
  101 0.41 4
  102 1.3 13
  103 0.2 2
  106 0.2 2
  107 0.04 0
  108 0.3 3
  109 0.1 1
  110 0.3 3
  111 0.41 4
  112 0.4 4
  113 1.5 15
  114 0.1 1
  124 0.03 0
  125 7.2 72
  126 8.6 86
  127 99.99 999
  128 1 10
  129 33 330
  130 2.8 28
  131 0.2 2
  140 0.1 1
  141 0.4 4
  142 0.3 3
  152 0.1 1
  153 1.42 14
  154 2.4 24
  155 5 50
  156 0.6 6
  199 0.06 1
  200 0.1 1
  201 0.3 3
  202 0.1 1
  244 0.07 1
  245 0.2 2
  246 0.2 2
  279 0.2 2
  280 1.32 13
  281 2.3 23
  282 9 90
  283 1.5 15
  284 0.18 2
  285 0.3 3
  286 0.1 1
//