ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010336
RECORD_TITLE: META-BROMOBENZOIC 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$NAME: META-BROMOBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅BrO₂
CH$EXACT_MASS: 199.94729
CH$SMILES: OC(=O)c(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
CH$LINK: INCHIKEY VOIZNVUXCQLQHS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8060408

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0udi-8790000000-7bd36c2fa7f044095a6f
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  26 1.44 14
  27 1.69 17
  28 1.68 17
  29 1.49 15
  37 5.03 50
  38 7.75 78
  39 9.73 97
  45 12.65 127
  49 3.12 31
  50 25.29 253
  51 11.58 116
  53 3.12 31
  61 1.48 15
  62 1.63 16
  63 3.92 39
  64 1.72 17
  65 21.19 212
  66 1.63 16
  73 3.14 31
  74 14.16 142
  75 25.47 255
  76 28.44 284
  77 12.46 125
  78 1.99 20
  79 1.83 18
  81 1.76 18
  92 2.13 21
  93 1.77 18
  103 1.21 12
  104 1.53 15
  105 1.44 14
  116 1.31 13
  121 3.65 37
  152 1.43 14
  154 1.27 13
  155 12.35 124
  156 2.01 20
  157 12.66 127
  158 1.32 13
  159 1.08 11
  172 1.59 16
  174 1.4 14
  183 61.49 615
  184 5.27 53
  185 58.93 589
  186 4.83 48
  200 99.99 999
  201 12.01 120
  202 98.44 984
  203 11.52 115
//