ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009574
RECORD_TITLE: 2-IODOBENZOIC 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$NAME: 2-IODOBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅IO₂
CH$EXACT_MASS: 247.93342
CH$SMILES: OC(=O)c(c1)c(I)ccc1
CH$IUPAC: InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
CH$LINK: INCHIKEY CJNZAXGUTKBIHP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6058976

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$SPLASH: splash10-0f7k-9060000000-9a1850f2d737746aa157
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  27 2.33 23
  28 2.81 28
  29 1.18 12
  37 3.71 37
  38 4.01 40
  39 19.06 191
  44 1.07 11
  45 3.34 33
  49 3.7 37
  50 36.88 369
  51 15.26 153
  53 4.02 40
  57 1.05 11
  61 1.18 12
  62 1.32 13
  63 3.2 32
  64 3.62 36
  65 41.12 411
  66 3.02 30
  69 1.73 17
  73 3.88 39
  74 16.58 166
  75 13.01 130
  76 36.17 362
  77 8.8 88
  92 3.36 34
  93 11.97 120
  104 2.59 26
  105 1.14 11
  115 1.83 18
  121 6.89 69
  122 1.32 13
  124 1.89 19
  127 5.81 58
  128 3.36 34
  203 17.15 172
  204 1.35 14
  231 58.05 581
  232 5.28 53
  248 99.99 999
  249 10.24 102
//