MassBank Record: JP003047



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

ACCESSION: JP003047
RECORD_TITLE: 2,2-DICHLOROPENTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 2,2-DICHLOROPENTANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H10Cl2 CH$EXACT_MASS: 140.01596 CH$SMILES: CCCC(C)(Cl)Cl CH$IUPAC: InChI=1S/C5H10Cl2/c1-3-4-5(2,6)7/h3-4H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00mo-9000000000-d5c578030392182c835d PK$NUM_PEAK: 85 PK$PEAK: m/z int. rel.int. 25 0.4 4 26 6.1 61 27 41.8 418 28 0.94 9 29 18.3 183 30 0.5 5 31 1.4 14 32 0.19 2 33 0.3 3 34 0.1 1 35 1.3 13 36 0.47 5 37 2.9 29 38 6.2 62 39 33.1 331 40 0.73 7 41 75.3 753 42 11.7 117 43 86.6 866 44 0.32 3 47 0.4 4 48 0.2 2 49 4.9 49 50 0.03 0 51 6.3 63 52 1.7 17 53 21.7 217 54 0.17 2 55 5.6 56 56 0.3 3 57 0.5 5 58 0.06 1 59 0.2 2 60 0.8 8 61 6.7 67 62 0.25 3 63 16 160 64 1 10 65 5.4 54 66 0.07 1 67 4.6 46 68 1.2 12 69 99.99 999 70 0.59 6 71 0.4 4 72 0.2 2 73 1 10 74 0.03 0 75 4.8 48 76 34.1 341 77 3.3 33 78 1.07 11 79 0.6 6 83 1 10 84 0.2 2 85 0.06 1 86 0.3 3 87 0.5 5 88 0.2 2 89 0.13 1 90 0.6 6 91 4.5 45 92 0.9 9 93 0.01 0 94 0.2 2 96 1.9 19 97 8.7 87 98 0.14 1 99 5.3 53 100 0.4 4 101 0.9 9 102 0.01 0 103 0.9 9 104 11.5 115 105 27.2 272 106 0.51 5 107 8.7 87 108 0.4 4 109 0.2 2 110 0.04 0 111 0.8 8 112 0.3 3 113 0.4 4 114 0.01 0 115 0.1 1 //