ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008235
RECORD_TITLE: 2-NITROPHENOL; 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$NAME: 2-NITROPHENOL
CH$NAME: 2-HYDROXYNITROBENZENE
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: CAS 88-75-5
CH$LINK: INCHIKEY IQUPABOKLQSFBK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021790

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$SPLASH: splash10-000i-9300000000-bf9c9dea087904b89a90
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  18 4.16 42
  26 3.1 31
  27 8.59 86
  28 1.63 16
  29 2.83 28
  30 9.83 98
  37 5.25 53
  38 13.97 140
  39 42.99 430
  40 2.22 22
  41 1.09 11
  42 1.16 12
  43 1.57 16
  44 3.09 31
  45 1.35 14
  50 5.64 56
  51 9.62 96
  52 5.29 53
  53 17.38 174
  54 1.6 16
  55 2.64 26
  61 3.2 32
  62 7.76 78
  63 30.57 306
  64 23.91 239
  65 38.92 389
  66 5.6 56
  67 0.98 10
  73 0.96 10
  74 1.66 17
  75 1.7 17
  76 1.01 10
  77 0.72 7
  78 4.19 42
  79 1.02 10
  80 3.05 31
  81 21.02 210
  82 1.11 11
  91 1.18 12
  92 9.06 91
  93 12.88 129
  94 5.58 56
  95 0.75 8
  106 3.26 33
  108 0.79 8
  109 17.67 177
  110 1.5 15
  119 1.06 11
  122 7.01 70
  123 2.61 26
  139 99.99 999
  140 7.06 71
  141 0.86 9
//