ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006273
RECORD_TITLE: 4-IODOBENZOIC 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$NAME: 4-IODOBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5IO2
CH$EXACT_MASS: 247.93342
CH$SMILES: OC(=O)c(c1)ccc(I)c1
CH$IUPAC: InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
CH$LINK: CAS 619-58-9
CH$LINK: INCHIKEY GHICCUXQJBDNRN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20862304
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-6190000000-91b2a2b8b1809074e7ca
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  37 1.19 12
  38 1.56 16
  49 1 10
  50 14.71 147
  51 6.13 61
  53 1.49 15
  62 0.58 6
  63 1.38 14
  64 0.88 9
  65 30.73 307
  66 1.8 18
  73 1.59 16
  74 8.06 81
  75 9.62 96
  76 19.01 190
  77 2.71 27
  78 1.07 11
  92 0.93 9
  93 1.88 19
  103 2.39 24
  104 4.47 45
  105 0.95 10
  110 1.05 11
  121 12.08 121
  122 1.3 13
  127 4.26 43
  128 1.42 14
  152 0.79 8
  153 0.75 8
  186 0.88 9
  203 7.19 72
  204 0.78 8
  220 0.88 9
  231 34.32 343
  232 2.63 26
  242 0.94 9
  248 99.99 999
  249 9.54 95
  250 0.84 8
//
