ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009587
RECORD_TITLE: 4-BROMOBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: 4-BROMOBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5BrO2
CH$EXACT_MASS: 199.94729
CH$SMILES: OC(=O)c(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
CH$LINK: INCHIKEY TUXYZHVUPGXXQG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060413
AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-0udi-7980000000-93d2c93456b829c977f1
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  28 1.06 11
  29 1.12 11
  31 1.28 13
  37 3.73 37
  38 8.02 80
  39 4.51 45
  45 3.75 38
  49 3.26 33
  50 27.22 272
  51 9.21 92
  52 2.32 23
  53 2.05 21
  61 1.38 14
  62 1.26 13
  63 2.16 22
  64 1.08 11
  65 10.26 103
  73 5.35 54
  74 20.77 208
  75 26.86 269
  76 23.71 237
  77 6.99 70
  78 1.1 11
  86 3.4 34
  87 3.52 35
  91 1.56 16
  92 1.46 15
  93 1.7 17
  104 2.35 24
  155 31.9 319
  156 2.99 30
  157 30.96 310
  158 2.04 20
  172 2.19 22
  174 2.02 20
  183 69.85 699
  184 5.96 60
  185 69.92 699
  186 5.66 57
  200 99.99 999
  201 8.4 84
  202 97.13 971
  203 8.05 81
//
