ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005270
RECORD_TITLE: P-CHLOROANILINE; 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$NAME: P-CHLOROANILINE
CH$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: INCHIKEY QSNSCYSYFYORTR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9020295

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-004i-7900000000-a2f8dccba0c4f29cf5f5
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  37 3.6 36
  38 3.83 38
  39 7.56 76
  40 1.37 14
  41 3.88 39
  42 1.12 11
  44 1.42 14
  44.5 1.81 18
  45.5 8.63 86
  50 2.75 28
  51 1.82 18
  52 3.98 40
  55 1.03 10
  61 2.45 25
  62 3.58 36
  63 7.32 73
  63.5 6.73 67
  64 5.55 56
  64.5 2.16 22
  65 23.98 240
  66 3 30
  73 3.73 37
  74 1.37 14
  75 1.81 18
  90 2.11 21
  91 4.81 48
  92 16.81 168
  93 1.22 12
  99 5.89 59
  100 8.15 82
  101 2.65 27
  102 2.65 27
  126 2.11 21
  127 99.99 999
  128 7.37 74
  129 31.7 317
  130 2.36 24
//