ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009422
RECORD_TITLE: META-IODONITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META-IODONITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄INO₂
CH$EXACT_MASS: 248.92867
CH$SMILES: [O-1][N+1](=O)c(c1)cc(I)cc1
CH$IUPAC: InChI=1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
CH$LINK: INCHIKEY CBYAZOKPJYBCHE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025449

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$SPLASH: splash10-0f92-9170000000-f581e5af2495b52169b9
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  26 1.57 16
  30 18.67 187
  37 4.46 45
  38 5.15 52
  39 3.21 32
  43 1.47 15
  46 9.25 93
  49 3.25 33
  50 34.2 342
  51 3.31 33
  57 1.32 13
  61 1.86 19
  62 2.83 28
  63 4.53 45
  64 4.05 41
  65 1.71 17
  73 4.7 47
  74 19.9 199
  75 15.89 159
  76 48.51 485
  77 4.02 40
  92 6.69 67
  93 1.5 15
  127 24.65 247
  128 3.84 38
  191 6.29 63
  203 54.57 546
  204 4.35 44
  219 2.18 22
  220 2.93 29
  233 1.17 12
  249 99.99 999
  250 7.33 73
//