ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009543
RECORD_TITLE: 4-IODONITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 4-IODONITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4INO2
CH$EXACT_MASS: 248.92867
CH$SMILES: [O-1][N+1](=O)c(c1)ccc(I)c1
CH$IUPAC: InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
CH$LINK: CAS 636-98-6
CH$LINK: INCHIKEY SCCCFNJTCDSLCY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060914
AC$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: splash10-0002-4090000000-71299b107f879302fc7d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  30 4.74 47
  46 1.52 15
  50 10.27 103
  63 2.63 26
  64 4.67 47
  73 1.15 12
  74 6.68 67
  75 7.16 72
  76 33.22 332
  77 2.57 26
  92 10.26 103
  127 5.05 51
  191 12.24 122
  203 17.19 172
  204 1.68 17
  219 23.22 232
  220 2.17 22
  233 7.59 76
  249 99.99 999
  250 7.98 80
//
