ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY IJZUPZAYWWVHIO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40278125
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
//
