ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004120
RECORD_TITLE: 2,6-DICHLOROBENZONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2,6-DICHLOROBENZONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₃Cl₂N
CH$EXACT_MASS: 170.96425
CH$SMILES: N#Cc(c(Cl)1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
CH$LINK: INCHIKEY YOYAIZYFCNQIRF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5032365

AC$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-00di-4900000000-85c1d070b0ba51ba1a21
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  18 5.1 51
  28 9.9 99
  35 1.7 17
  36 2.3 23
  37 5.1 51
  38 2.9 29
  39 1.3 13
  47 0.19 2
  49 3.7 37
  50 8.3 83
  51 3 30
  60 0.23 2
  61 3.6 36
  62 2.8 28
  63 2.4 24
  72 0.26 3
  73 6.3 63
  74 8.2 82
  75 14.1 141
  76 0.32 3
  84 2.8 28
  85 3.2 32
  85.5 2.1 21
  86 0.25 3
  87 1.7 17
  91 2.8 28
  92 2.1 21
  98 0.16 2
  99 7.7 77
  100 20 200
  101 2.6 26
  109 0.33 3
  110 2.8 28
  111 1.6 16
  135 2.3 23
  136 1.93 19
  137 2.4 24
  138 6.2 62
  171 99.99 999
  172 0.8 8
  173 64.2 642
  174 5 50
  175 11 110
//