ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010787
RECORD_TITLE: 2,4-DICHLOROANILINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 2,4-DICHLOROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅Cl₂N
CH$EXACT_MASS: 160.97990
CH$SMILES: Nc(c1)c(Cl)cc(Cl)c1
CH$IUPAC: InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
CH$LINK: INCHIKEY KQCMTOWTPBNWDB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1024966

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-03di-4900000000-8687f2415b8e8f7ba643
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  42 1.93 19
  45 4.51 45
  46 1.49 15
  49 1.11 11
  50 1.43 14
  52 4.41 44
  61 2.91 29
  62 7.14 71
  63 11.69 117
  64 2.79 28
  65 2.45 25
  72 1.16 12
  73 4.7 47
  74 1.55 16
  75 1.91 19
  80 8.25 83
  81 5.41 54
  89 2.38 24
  90 14.86 149
  91 3.27 33
  97 1.44 14
  98 4.44 44
  99 10.7 107
  100 2.31 23
  101 3.89 39
  124 1.07 11
  125 6.64 66
  126 8.07 81
  127 2.61 26
  128 2.58 26
  133 3.73 37
  134 2.09 21
  135 2.65 27
  136 1.33 13
  160 1.54 15
  161 99.99 999
  162 7.99 80
  163 63.93 639
  164 4.53 45
  165 10.58 106
//