MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002917

NITROBENZEN; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002917
RECORD_TITLE: NITROBENZEN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: NITROBENZEN
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0fi0-9200000000-940028739887fc7d3811
PK$NUM_PEAK: 17
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
  50 19.03 190
  51 55.13 551
  52 2.87 29
  65 12.31 123
  74 6.52 65
  75 4.04 40
  76 3.1 31
  77 99.99 999
  78 7.76 78
  93 12.44 124
  123 54.26 543
  124 4.28 43
//