MassBank Record: JP000938



 1,1-DICHLORO-2,2-BIS(PARA-CHLOROPHENYL)ETHANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //