MassBank Record: JP003046



 1,4-DICHLOROPENTANE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003046
RECORD_TITLE: 1,4-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$NAME: 1,4-DICHLOROPENTANE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H10Cl2 CH$EXACT_MASS: 140.01596 CH$SMILES: ClCCCC(C)Cl CH$IUPAC: InChI=1S/C5H10Cl2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3
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: splash10-00kf-9000000000-d70052fd0033fdc8bb8b PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 25 0.5 5 26 8.7 87 27 61.4 614 28 3.1 31 29 22 220 30 0.9 9 35 1.7 17 36 0.47 5 37 3.4 34 38 7.4 74 39 44.5 445 40 1.12 11 41 99.99 999 42 86.2 862 43 38.7 387 44 0.42 4 47 0.5 5 48 0.7 7 49 11.9 119 50 0.03 0 51 8.1 81 52 1.3 13 53 17.8 178 54 0.32 3 55 6.1 61 56 9.1 91 57 1.9 19 58 0.01 0 60 0.7 7 61 3 30 62 7.5 75 63 3.27 33 64 2.9 29 65 11.9 119 66 1 10 67 0.06 1 68 51.3 513 69 66.5 665 70 4.4 44 71 2.51 25 72 1.3 13 73 0.9 9 75 5.7 57 76 2.84 28 77 5.9 59 78 9.4 94 79 1.4 14 85 0.19 2 86 3.9 39 87 0.6 6 89 7.4 74 91 0.28 3 104 19.3 193 105 6.3 63 106 6.3 63 107 2.2 22 //