MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010338

ORTHO-IODOBENZOIC ACID; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010338
RECORD_TITLE: ORTHO-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$NAME: ORTHO-IODOBENZOIC ACID
CH$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: CAS 88-67-5
CH$LINK: INCHIKEY CJNZAXGUTKBIHP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6058976

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$SPLASH: splash10-0002-7090000000-f67078fe9cfb77872338
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 1.36 14
  28 2.4 24
  37 2.37 24
  38 2.58 26
  39 12.99 130
  45 4.32 43
  49 2.06 21
  50 18.62 186
  51 8.69 87
  53 2.41 24
  63 2.59 26
  64 1.76 18
  65 32.14 321
  66 2.13 21
  73 1.68 17
  74 7.47 75
  75 7.2 72
  76 15.86 159
  77 4.86 49
  78 1.1 11
  92 2.81 28
  93 4.42 44
  104 1.99 20
  121 5.85 59
  127 5.93 59
  138 1.66 17
  203 5.36 54
  231 49.44 494
  232 3.84 38
  248 99.99 999
  249 10.31 103
//

system version 2.2.5
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo