MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004269

NITROBENZENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004269
RECORD_TITLE: 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

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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$LINK: INCHIKEY LQNUZADURLCDLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020964

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0fi0-9200000000-01d576e409b4cc0d4a11
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 2.11 21
  30 5.87 59
  37 1.59 16
  38 2.11 21
  39 4.23 42
  49 1.06 11
  50 12.32 123
  51 41.65 417
  52 2.11 21
  63 1.48 15
  64 1.06 11
  65 12.16 122
  66 1.11 11
  73 1.06 11
  74 4.6 46
  75 2.91 29
  76 2.59 26
  77 99.99 999
  78 6.77 68
  93 12.84 128
  94 1 10
  107 4.7 47
  123 63.37 634
  124 4.76 48
//