ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000214
RECORD_TITLE: PARA NITRO ANILINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA NITRO ANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O₂
CH$EXACT_MASS: 138.04293
CH$SMILES: Nc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020961

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00kr-9300000000-f6af77a419a9dfca0d47
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  26 1.11 11
  27 2.23 22
  28 7.8 78
  30 7.53 75
  37 3.07 31
  38 8.75 88
  39 32.5 325
  40 3.12 31
  41 10.54 105
  42 2.68 27
  50 3.9 39
  51 4.29 43
  52 13.15 132
  53 8.92 89
  54 3.12 31
  61 2.68 27
  62 6.24 62
  63 15.27 153
  64 11.32 113
  65 99.99 999
  66 11.65 117
  74 1.67 17
  75 1.23 12
  79 1.11 11
  80 17.73 177
  81 1.11 11
  90 1.45 15
  91 4.46 45
  92 43.48 435
  93 2.79 28
  108 42.81 428
  109 2.79 28
  121 4.96 50
  138 83.5 835
  139 8.08 81
//