ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005700
RECORD_TITLE: 4-NITROPYRIDINE-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$NAME: 4-NITROPYRIDINE-N-OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₄N₂O₃
CH$EXACT_MASS: 140.02219
CH$SMILES: [O-1][n+1](c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
CH$LINK: CAS 1124-33-0
CH$LINK: INCHIKEY RXKNNAKAVAHBNK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041524

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$SPLASH: splash10-01p6-9500000000-d5908a7ed7f0f1bb6550
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  26 3.47 35
  27 3.42 34
  28 10.2 102
  29 3.02 30
  30 34.53 345
  31 0.29 3
  37 3.61 36
  38 12.63 126
  39 53.39 534
  40 3.72 37
  41 0.73 7
  42 0.55 6
  46 2.1 21
  48 0.29 3
  49 2.52 25
  50 13.3 133
  51 17.87 179
  52 3.7 37
  53 8.52 85
  54 2.59 26
  55 0.73 7
  56 2.31 23
  60 0.33 3
  61 3.27 33
  62 9.15 92
  63 29.83 298
  64 15.67 157
  65 1.41 14
  66 0.66 7
  67 0.55 6
  68 0.9 9
  75 1.3 13
  76 1.57 16
  77 1.7 17
  78 5.95 60
  79 0.65 7
  82 3.72 37
  84 3.14 31
  93 0.34 3
  94 8.03 80
  95 0.83 8
  110 49.22 492
  111 2.93 29
  112 0.3 3
  124 6.7 67
  125 0.56 6
  140 99.99 999
  141 10.42 104
  142 1.04 10
//