ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001670
RECORD_TITLE: 1-IODO-4-NITROBENZENE; 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$NAME: 1-IODO-4-NITROBENZENE
CH$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$LINK: INCHIKEY SCCCFNJTCDSLCY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060914

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0fba-9050000000-4c3c7088b4c0561c91d8
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  28 2.65 27
  30 5.03 50
  37 3.4 34
  38 4.56 46
  39 1.36 14
  49 2.04 20
  50 51.63 516
  51 3.4 34
  61 1.5 15
  62 1.7 17
  63 4.56 46
  64 8.71 87
  73 3.74 37
  74 18.57 186
  75 18.98 190
  76 99.99 999
  77 6.67 67
  92 12.24 122
  127 2.18 22
  128 1.22 12
  191 11.29 113
  203 32.99 330
  204 2.04 20
  219 21.16 212
  220 1.36 14
  233 1.7 17
  249 84.08 841
  250 5.71 57
//