ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004672
RECORD_TITLE: 1,1-DICHLORO-1-HEPTENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,1-DICHLORO-1-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂Cl₂
CH$EXACT_MASS: 166.03161
CH$SMILES: CCCCCC=C(Cl)Cl
CH$IUPAC: InChI=1S/C7H12Cl2/c1-2-3-4-5-6-7(8)9/h6H,2-5H2,1H3
CH$LINK: INCHIKEY SHIGTIVKNFPBPY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00449551

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0abc-9100000000-8b58749e55025eb101c6
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  42 88.63 886
  43 9.23 92
  49 4 40
  50 1.78 18
  51 7.36 74
  53 4.32 43
  54 1.95 20
  55 67.58 676
  56 10.64 106
  57 62.45 625
  58 2.86 29
  61 1.96 20
  63 1.67 17
  65 3.4 34
  67 2.39 24
  68 14.2 142
  69 14.19 142
  70 99.99 999
  71 5.8 58
  73 4.34 43
  75 5.58 56
  77 1.84 18
  83 11.44 114
  85 3.52 35
  87 4.71 47
  88 3.65 37
  89 3.13 31
  90 1.63 16
  95 11.59 116
  96 2.34 23
  98 1.47 15
  104 2.07 21
  109 15.96 160
  110 1.97 20
  111 10.2 102
  113 1.72 17
  166 13.88 139
  168 8.62 86
  170 1.48 15
//