ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000939
RECORD_TITLE: 1,1-DICHLORO-2,2-BIS(PARA-CHLOROPHENYL)ETYLENE; 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$NAME: 1,1-DICHLORO-2,2-BIS(PARA-CHLOROPHENYL)ETYLENE
CH$NAME: 4,4'-DDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₈Cl₄
CH$EXACT_MASS: 315.93801
CH$SMILES: Clc(c2)ccc(c2)C(=C(Cl)Cl)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
CH$LINK: CAS 72-55-9
CH$LINK: INCHIKEY UCNVFOCBFJOQAL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9020374

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$SPLASH: splash10-0002-4895000000-b3aea297f02896886625
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  50 13.2 132
  61 3.3 33
  62 3.3 33
  63 0.24 2
  74 14.9 149
  75 23.8 238
  76 2.6 26
  86 0.38 4
  87 22.3 223
  88 14.4 144
  92 4.6 46
  93 0.37 4
  98 7.2 72
  99 12.7 127
  105 40.4 404
  106 1.1 11
  110 8.2 82
  111 6 60
  122 15.5 155
  123 2.15 22
  124 8.8 88
  125 4.9 49
  126 2.7 27
  134 0.24 2
  135 2.8 28
  137 2.8 28
  140 11.8 118
  141 0.89 9
  142 3.1 31
  149 2.3 23
  150 8 80
  160 0.42 4
  163 3.8 38
  170 4 40
  172 5.4 54
  174 1.48 15
  175 12.4 124
  176 57 570
  177 6.2 62
  210 2.09 21
  211 4.6 46
  212 6 60
  233 2.8 28
  246 99.99 999
  247 14 140
  248 72.6 726
  249 9.8 98
  250 1.02 10
  280 3.4 34
  282 5.8 58
  283 5.5 55
  284 0.23 2
  285 2.4 24
  316 57.1 571
  317 8.3 83
  318 7.68 77
  319 9.5 95
  320 35 350
  321 4.8 48
  322 8.1 81
//