ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001651
RECORD_TITLE: 1-ETHOXY-4-NITROBENZENE; 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$NAME: 1-ETHOXY-4-NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉NO₃
CH$EXACT_MASS: 167.05824
CH$SMILES: CCOc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
CH$LINK: INCHIKEY NWPKEYHUZKMWKJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7026655

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$SPLASH: splash10-014r-9700000000-b86ce4714da069ea1c87
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  26 2.17 22
  27 16.47 165
  28 4.34 43
  29 43.93 439
  30 6.29 63
  38 5.78 58
  39 23.7 237
  50 11.49 115
  51 4.34 43
  52 2.17 22
  53 6.5 65
  62 3.61 36
  63 14.45 145
  64 10.98 110
  65 53.11 531
  66 3.47 35
  74 3.4 34
  75 7.23 72
  76 7.95 80
  77 4.34 43
  81 14.67 147
  91 2.89 29
  92 5.35 54
  93 31.29 313
  94 2.38 24
  109 33.02 330
  110 2.1 21
  122 1.66 17
  123 6.79 68
  139 99.99 999
  140 6.94 69
  167 94.94 949
  168 9.68 97
//