ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001009
RECORD_TITLE: PARA-CHLOROBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-CHLOROBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅ClO₂
CH$EXACT_MASS: 155.99781
CH$SMILES: OC(=O)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9024772

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-06ri-3900000000-6cb8a1e870e9cbb239fd
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  27 1 10
  37 3.17 32
  37.5 1.67 17
  38 5.81 58
  39 3.12 31
  40 1.94 19
  43 1.18 12
  45 1.83 18
  49 2.15 22
  50 18.18 182
  51 8.93 89
  55 1.24 12
  55.5 1.51 15
  57 1.08 11
  61 1.61 16
  63 1.4 14
  64 2.47 25
  65 3.93 39
  69.5 1.4 14
  73 3.71 37
  74 11.19 112
  75 27.6 276
  76 6.46 65
  77 6.78 68
  84 1.08 11
  85 2.69 27
  110 1.56 16
  111 48.41 484
  112 3.77 38
  113 15.6 156
  114 1 10
  128 2.1 21
  130 1.24 12
  139 99.99 999
  140 8.28 83
  141 33.89 339
  142 3.12 31
  155 1.24 12
  156 67.13 671
  157 4.9 49
  158 21.89 219
  159 1.51 15
//