ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001008
RECORD_TITLE: META-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$NAME: META-CHLOROBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅ClO₂
CH$EXACT_MASS: 155.99781
CH$SMILES: OC(=O)c(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
CH$LINK: INCHIKEY LULAYUGMBFYYEX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9024770

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$SPLASH: splash10-0bti-3900000000-ff604323020f2ae9a71a
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 1.19 12
  37 3.46 35
  37.5 2.51 25
  38 6.69 67
  39 3.58 36
  45 2.57 26
  49 2.27 23
  50 17.56 176
  51 9.98 100
  55.5 2.51 25
  61 1.79 18
  63 1.79 18
  64 2.69 27
  65 4.66 47
  69.5 2.39 24
  73 3.46 35
  74 9.74 97
  75 27.3 273
  76 7.41 74
  77 9.02 90
  84 1.37 14
  85 2.93 29
  110 2.09 21
  111 52.09 521
  112 4.42 44
  113 16.31 163
  114 1.14 11
  121 1.55 16
  123 1.02 10
  128 2.09 21
  130 1.79 18
  139 99.99 999
  140 8.24 82
  141 32.44 324
  142 2.39 24
  155 1.19 12
  156 81.96 820
  157 6.33 63
  158 26.11 261
  159 1.85 19
//