ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010815
RECORD_TITLE: 4-CHLOROANILINE; 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$NAME: 4-CHLOROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆ClN
CH$EXACT_MASS: 127.01888
CH$SMILES: Nc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
CH$LINK: COMPTOX DTXSID9020295
CH$LINK: INCHIKEY QSNSCYSYFYORTR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7812

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$SPLASH: splash10-004i-7900000000-01a4e06910b90b1459ba
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  42 4.77 48
  43 1.15 12
  46 9.19 92
  47 1.73 17
  50 2.31 23
  51 1.89 19
  52 2.78 28
  55 1.15 12
  57 1.57 16
  61 3.36 34
  62 4.46 45
  63 10.45 105
  64 6.03 60
  65 23.1 231
  66 2.83 28
  67 1.68 17
  71 1.78 18
  73 3.67 37
  74 1.36 14
  75 2.25 23
  78 5.98 60
  83 1.31 13
  90 1.41 14
  91 4.98 50
  92 16.64 166
  93 1.26 13
  99 6.77 68
  100 8.5 85
  101 2.46 25
  102 2.67 27
  126 1.83 18
  127 99.99 999
  128 7.72 77
  129 33.14 331
  130 2.15 22
//