ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012068
RECORD_TITLE: 5-BROMO-3-PYRIDINECARBOXYLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 5-BROMO-3-PYRIDINECARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄BrNO₂
CH$EXACT_MASS: 200.94254
CH$SMILES: OC(=O)c(c1)cc(Br)cn1
CH$IUPAC: InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
CH$LINK: INCHIKEY FQIUCPGDKPXSLL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70174944

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0udi-4890000000-fc4dfad8b697473c6516
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  28 2.51 25
  38 1.16 12
  39 5.69 57
  45 4.83 48
  50 13.43 134
  51 19.07 191
  52 2.91 29
  53 1.28 13
  66 4.4 44
  67 3.58 36
  76 15.66 157
  77 8.3 83
  78 9.37 94
  94 7.46 75
  104 9.88 99
  105 1.29 13
  106 1.43 14
  122 3.72 37
  129 4.57 46
  131 4.72 47
  155 7.05 71
  156 22.19 222
  157 8.33 83
  158 21.38 214
  159 1.67 17
  172 1.48 15
  173 1.01 10
  174 1.53 15
  183 35.9 359
  184 17.7 177
  185 36.46 365
  186 16.47 165
  187 1.24 12
  201 99.99 999
  202 7.69 77
  203 97.3 973
  204 7.44 74
//