ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000212
RECORD_TITLE: ORTHO 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$NAME: ORTHO NITRO ANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O₂
CH$EXACT_MASS: 138.04293
CH$SMILES: [O-1][N+1](=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
CH$LINK: INCHIKEY DPJCXCZTLWNFOH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1025726

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$SPLASH: splash10-00ku-9200000000-bcec312c5e8005213644
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  26 1.42 14
  27 4.1 41
  28 6.87 69
  30 2.99 30
  37 3.73 37
  38 9.18 92
  39 31.04 310
  40 2.84 28
  41 6.04 60
  42 2.76 28
  50 4.33 43
  51 7.84 78
  52 17.84 178
  53 7.16 72
  54 1.49 15
  61 2.24 22
  62 5.07 51
  63 15.67 157
  64 13.43 134
  65 99.99 999
  66 11.87 119
  74 1.42 14
  75 1.49 15
  76 1.64 16
  77 2.99 30
  78 2.39 24
  79 1.49 15
  80 15.82 158
  90 3.58 36
  91 9.55 96
  92 65.9 659
  93 4.48 45
  108 12.69 127
  121 5.22 52
  122 2.09 21
  138 81.34 813
  139 5.97 60
//