ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008238
RECORD_TITLE: NITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅NO₂
CH$EXACT_MASS: 123.03203
CH$SMILES: [O-1][N+1](=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
CH$LINK: CAS 98-95-3
CH$LINK: INCHIKEY LQNUZADURLCDLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020964

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0fi0-9200000000-913bbd87a6a1c495c53f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 4.18 42
  30 11.06 111
  37 2.79 28
  38 3.93 39
  39 7.73 77
  49 1.81 18
  50 19.03 190
  51 55.13 551
  52 2.87 29
  62 1.15 12
  63 1.83 18
  64 1.07 11
  65 12.31 123
  66 0.84 8
  73 1.87 19
  74 6.52 65
  75 4.04 40
  76 3.1 31
  77 99.99 999
  78 7.76 78
  93 12.44 124
  94 0.57 6
  107 1.11 11
  123 54.26 543
  124 4.28 43
//