MassBank Record: JP000011

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O-NITROPHENOL; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP000011
RECORD_TITLE: O-NITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: O-NITROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5NO3
CH$EXACT_MASS: 139.02694
CH$SMILES: [O-1][N+1](=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
CH$LINK: INCHIKEY IQUPABOKLQSFBK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021790

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-01p9-9400000000-b0dcd6f6804e94a669df
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  51 15.85 159
  52 8.42 84
  53 28.05 281
  54 2.29 23
  55 2.27 23
  60 1.06 11
  61 5.75 58
  62 17.29 173
  63 45.11 451
  64 41.62 416
  65 51.77 518
  66 6.47 65
  67 1.78 18
  73 1.15 12
  74 2.73 27
  75 2.38 24
  76 1.44 14
  77 2.77 28
  78 5.63 56
  79 1.16 12
  80 8.72 87
  81 30.38 304
  82 1.93 19
  91 2.46 25
  92 11.94 119
  93 13.15 132
  94 6.55 66
  106 4.18 42
  108 3.71 37
  109 30.58 306
  110 2.04 20
  122 7.2 72
  123 1.85 19
  138 13.61 136
  139 99.99 999
  140 7.57 76
//