ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000213
RECORD_TITLE: META 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$NAME: META NITRO ANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O₂
CH$EXACT_MASS: 138.04293
CH$SMILES: Nc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
CH$LINK: INCHIKEY XJCVRTZCHMZPBD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025725

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$SPLASH: splash10-014u-9200000000-b43a6027dc2194165cd3
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 2.06 21
  28 5.3 53
  30 1.17 12
  37 1.8 18
  38 4.58 46
  39 23.52 235
  40 1.89 19
  41 6.01 60
  50 2.06 21
  51 2.51 25
  52 6.82 68
  53 3.86 39
  54 1.8 18
  62 3.23 32
  63 8.44 84
  64 7.54 75
  65 99.99 999
  66 10.59 106
  80 9.78 98
  91 3.68 37
  92 93.63 936
  93 7.9 79
  108 10.23 102
  138 84.56 846
  139 7.18 72
//