ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005699
RECORD_TITLE: N,N-DIMETHYL-4-NITROANILINE; 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$NAME: N,N-DIMETHYL-4-NITROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀N₂O₂
CH$EXACT_MASS: 166.07423
CH$SMILES: CN(C)c(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
CH$LINK: INCHIKEY QJAIOCKFIORVFU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059209

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$SPLASH: splash10-014i-3900000000-e89d0944a6cb3b522f92
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  18 1.03 10
  28 1.05 11
  30 3.7 37
  39 1.92 19
  41 0.96 10
  42 9.26 93
  46 1.37 14
  50 3.52 35
  51 3.11 31
  52 1.43 14
  62 0.91 9
  63 3.95 40
  64 1.55 16
  65 3.22 32
  66 1.68 17
  67 1.51 15
  68 1.03 10
  69 0.84 8
  74 1.75 18
  75 1.87 19
  76 3.17 32
  77 9.46 95
  78 4.57 46
  79 5.45 55
  80 1.18 12
  90 2.65 27
  91 5.25 53
  92 3.55 36
  93 2.49 25
  94 0.71 7
  103 1.54 15
  104 7.37 74
  105 11.77 118
  106 1.72 17
  107 0.59 6
  108 4.6 46
  117 1.22 12
  118 5.53 55
  119 18.22 182
  120 10.52 105
  121 1.3 13
  136 29.26 293
  137 2.67 27
  149 0.5 5
  150 2.57 26
  163 0.96 10
  165 19.06 191
  166 99.99 999
  167 10.32 103
  168 1.1 11
  169 0.78 8
//