MassBank Record: JP000940



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

ACCESSION: JP000940
RECORD_TITLE: 1,1,1-TRICHLORO-2,2-BIS(PARA-CHLOROPHNYL)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$NAME: 1,1,1-TRICHLORO-2,2-BIS(PARA-CHLOROPHNYL)ETHANE CH$NAME: 4,4'-DDT CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H9Cl5 CH$EXACT_MASS: 351.91469 CH$SMILES: Clc(c2)ccc(c2)C(c(c1)ccc(Cl)c1)C(Cl)(Cl)Cl CH$IUPAC: InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H CH$LINK: CAS 50-29-3
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$SPLASH: splash10-000i-3390000000-676266969a9e4afcfeb3 PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 50 8.8 88 51 6.9 69 62 3.4 34 63 0.58 6 73 3.8 38 74 8.4 84 75 17.6 176 76 0.29 3 82 8.3 83 85 2.7 27 86 3.2 32 87 0.67 7 88 9.9 99 89 2.2 22 93 2.1 21 98 0.26 3 99 6.6 66 100 3.7 37 101 4.2 42 105 0.63 6 106 4.6 46 110 2.4 24 111 3.4 34 113 0.23 2 123 6 60 124 3.3 33 135 3.2 32 136 0.85 9 137 2.6 26 138 3.5 35 139 2 20 150 0.24 2 151 2.2 22 163 7.7 77 164 7.4 74 165 5.38 54 166 8 80 171 2.2 22 173 2.1 21 174 0.28 3 175 2.9 29 176 13.3 133 177 3 30 199 1.19 12 200 7.3 73 201 5.4 54 202 2.3 23 210 0.2 2 212 11 110 213 2.4 24 214 3.9 39 235 99.99 999 236 12.5 125 237 56.6 566 238 8.9 89 239 0.98 10 246 5.3 53 247 2.3 23 248 4 40 282 0.33 3 284 3.2 32 //