ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010337
RECORD_TITLE: META-IODOBENZOIC 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$NAME: META-IODOBENZOIC ACID
CH$NAME: 3-IODOBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅IO₂
CH$EXACT_MASS: 247.93342
CH$SMILES: OC(=O)c(c1)cc(I)cc1
CH$IUPAC: InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
CH$LINK: INCHIKEY KVBWBCRPWVKFQT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060682

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$SPLASH: splash10-0002-9160000000-dd6a5dcb44a03db3959c
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 1.41 14
  37 3.03 30
  38 3.45 35
  39 10.6 106
  45 6.2 62
  49 2.29 23
  50 23.38 234
  51 9.48 95
  53 2.3 23
  63 1.76 18
  64 1.37 14
  65 46.93 469
  66 2.93 29
  73 2.43 24
  74 10.64 106
  75 11.74 117
  76 22.32 223
  77 3.52 35
  78 1.06 11
  92 1.61 16
  93 3.16 32
  103 2.37 24
  104 1.95 20
  121 22.06 221
  122 2.08 21
  127 7.51 75
  128 1.24 12
  203 5 50
  231 12.65 127
  248 99.99 999
  249 8.57 86
//