MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000938
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
//