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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011266

ORTHO-IODONITROBENZENE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011266
RECORD_TITLE: ORTHO-IODONITROBENZENE; 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$NAME: ORTHO-IODONITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4INO2
CH$EXACT_MASS: 248.92867
CH$SMILES: [O-1][N+1](=O)c(c1)c(I)ccc1
CH$IUPAC: InChI=1S/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
CH$LINK: INCHIKEY JXMZUNPWVXQADG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060574

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$SPLASH: splash10-000t-3090000000-cc1b490beeae79da5a41
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  30 4.1 41
  39 2.84 28
  50 3.23 32
  63 6.24 62
  64 1.71 17
  74 1.22 12
  75 1.93 19
  76 10.22 102
  77 1.41 14
  92 35.82 358
  93 2.55 26
  94 1.3 13
  122 2.4 24
  152 1.51 15
  191 3.76 38
  203 2.69 27
  204 2.38 24
  219 11.68 117
  220 2.35 24
  233 54.14 541
  234 4.47 45
  249 99.99 999
  250 13.48 135
  251 1.08 11
//

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