ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001658
RECORD_TITLE: PARA-NITROACETOPHENONE; 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$NAME: PARA-NITROACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇NO₃
CH$EXACT_MASS: 165.04259
CH$SMILES: CC(=O)c(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
CH$LINK: INCHIKEY YQYGPGKTNQNXMH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1025724

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$SPLASH: splash10-0udi-3900000000-ef4aa0cf3d727e6de0be
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  43 18.38 184
  44 2.59 26
  50 6.33 63
  51 2.36 24
  55 1.14 11
  57 1.37 14
  63 1.91 19
  64 1.98 20
  65 2.44 24
  74 2.82 28
  75 4.73 47
  76 12.2 122
  77 3.81 38
  91 2.67 27
  92 8.39 84
  104 27.69 277
  105 2.29 23
  119 1 10
  120 19.15 192
  121 2.44 24
  149 1.98 20
  150 99.99 999
  151 7.86 79
  165 11.44 114
  166 0.99 10
//