ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011221
RECORD_TITLE: 4-CHLOROBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 4-CHLOROBENZOIC ACID
CH$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$INSTRUMENT: SHIMADZU QP-1000EX
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4r-1900000000-8a1d52e9becc013212f2
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  36 1.7 17
  38 0.6 6
  39 2.5 25
  40 0.6 6
  43 0.3 3
  44 0.6 6
  45 1.5 15
  50 1.4 14
  51 4.8 48
  52 0.4 4
  53 0.4 4
  55 0.2 2
  57 0.3 3
  60 0.3 3
  61 0.4 4
  63 0.5 5
  64 0.6 6
  65 5.1 51
  66 0.3 3
  69 0.3 3
  73 0.8 8
  74 0.3 3
  75 13.9 139
  76 3.7 37
  77 5.1 51
  78 0.4 4
  81 0.2 2
  84 0.2 2
  85 1.2 12
  86 0.2 2
  87 0.5 5
  93 0.3 3
  99 0.5 5
  100 0.3 3
  101 0.2 2
  103 0.2 2
  104 0.8 8
  110 1.1 11
  111 37.5 375
  112 3.1 31
  113 12.3 123
  114 0.9 9
  127 0.2 2
  128 2 20
  129 0.3 3
  130 0.7 7
  139 99.99 999
  140 7.9 79
  141 32.5 325
  142 2.5 25
  155 0.2 2
  156 83.1 831
  157 6.5 65
  158 27.5 275
  159 2.1 21
  160 0.2 2
//