ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000938
RECORD_TITLE: 1,1-DICHLORO-2,2-BIS(PARA-CHLOROPHENYL)ETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 1,1-DICHLORO-2,2-BIS(PARA-CHLOROPHENYL)ETHANE
CH$NAME: 4,4'-DDD
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₀Cl₄
CH$EXACT_MASS: 317.95366
CH$SMILES: Clc(c2)ccc(c2)C(C(Cl)Cl)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
CH$LINK: CAS 72-54-8
CH$LINK: INCHIKEY AHJKRLASYNVKDZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020373

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-000i-3690000000-3105d9bda69f6226e551
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  50 9.2 92
  51 9.2 92
  62 3.6 36
  63 0.69 7
  67 3.4 34
  73 2.6 26
  74 6.8 68
  75 2.12 21
  76 4.6 46
  77 2.8 28
  82 10.2 102
  83 0.58 6
  85 3.9 39
  86 2.7 27
  87 5.3 53
  88 1.23 12
  89 3.1 31
  93 2.3 23
  98 2 20
  99 0.55 6
  100 4.8 48
  101 9.6 96
  102 5.6 56
  106 0.41 4
  111 2.8 28
  136 6 60
  137 5.5 55
  138 0.3 3
  139 3.3 33
  150 2.2 22
  151 2.9 29
  163 0.76 8
  164 7.8 78
  165 58.4 584
  166 8.3 83
  174 0.23 2
  175 2.4 24
  176 9.2 92
  177 4.3 43
  178 0.75 8
  199 13.5 135
  200 8 80
  201 5.5 55
  202 0.22 2
  212 5.8 58
  214 2.1 21
  235 99.99 999
  236 1.22 12
  237 57 570
  238 9.1 91
  239 10 100
  318 0.26 3
  320 3.5 35
//