MassBank Record: JP003043



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

ACCESSION: JP003043
RECORD_TITLE: 2,2-DICHLOROBUTANE; 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$NAME: 2,2-DICHLOROBUTANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H8Cl2 CH$EXACT_MASS: 126.00031 CH$SMILES: CCC(C)(Cl)Cl CH$IUPAC: InChI=1S/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3
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: splash10-052f-9000000000-2bee803faf37e3c7d492 PK$NUM_PEAK: 81 PK$PEAK: m/z int. rel.int. 24 0.1 1 25 0.9 9 26 8.7 87 27 3.82 38 28 8 80 29 25 250 30 0.5 5 35 0.23 2 36 5.5 55 37 3.1 31 38 5.4 54 39 2.46 25 40 2.3 23 41 10.2 102 42 1.4 14 43 1.21 12 44 0.6 6 45 0.2 2 47 0.7 7 48 0.05 1 49 6.3 63 50 4.6 46 51 6.7 67 52 0.16 2 53 9.6 96 54 2.9 29 55 72.4 724 56 0.42 4 57 0.9 9 58 0.1 1 59 0.2 2 60 0.12 1 61 13.7 137 62 5 50 63 15.9 159 64 0.17 2 65 3.6 36 66 0.1 1 67 0.1 1 69 0.05 1 70 0.5 5 71 0.3 3 72 0.3 3 73 0.12 1 74 0.2 2 75 13.6 136 76 1.4 14 77 0.42 4 78 1.6 16 79 0.1 1 82 0.2 2 83 0.15 2 84 0.2 2 85 1 10 86 0.1 1 87 0.02 0 88 0.1 1 89 1.1 11 90 4.9 49 91 99.99 999 92 6 60 93 32 320 94 1.4 14 95 0.02 0 96 12 120 97 50.7 507 98 8.5 85 99 3.17 32 100 1.9 19 101 5.1 51 102 0.1 1 106 0.06 1 107 0.1 1 108 0.2 2 109 0.2 2 110 0.03 0 111 3.6 36 112 0.3 3 113 2.3 23 114 0.01 0 115 0.4 4 //