ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005717
RECORD_TITLE: 4-NITROQUINOLINE-N-OXIDE; 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

CH$NAME: 4-NITROQUINOLINE-N-OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₆N₂O₃
CH$EXACT_MASS: 190.03784
CH$SMILES: [O-1][N+1](=O)c(c1)c(c2)c(ccc2)[n+1]([O-1])c1
CH$IUPAC: InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H
CH$LINK: CAS 56-57-5
CH$LINK: INCHIKEY YHQDZJICGQWFHK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025780

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-01ox-4900000000-03a2fd7fa185cbfa42a1
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  28 0.84 8
  30 7.44 74
  38 1.36 14
  39 3.24 32
  50 4.03 40
  51 5.27 53
  52 1.3 13
  53 2.07 21
  61 1.53 15
  62 6.19 62
  63 8.91 89
  64 2.44 24
  65 1.19 12
  74 6.25 63
  75 8.69 87
  76 5.55 56
  77 11.57 116
  78 1.91 19
  85 0.83 8
  86 2.59 26
  87 3.75 38
  88 10.26 103
  89 25.03 250
  90 5.13 51
  98 1.22 12
  99 1.41 14
  100 2.38 24
  101 6.61 66
  102 2.77 28
  103 0.9 9
  104 8.12 81
  105 2.49 25
  113 6.99 70
  114 20.18 202
  115 4.1 41
  116 16.07 161
  117 2.26 23
  127 2.77 28
  128 4.23 42
  132 8.05 81
  133 0.94 9
  134 1.67 17
  143 0.44 4
  144 2.13 21
  160 46.24 462
  161 4.89 49
  174 3.15 32
  175 0.43 4
  190 99.99 999
  191 11.52 115
  192 1.28 13
//