ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001657
RECORD_TITLE: META-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$NAME: META-NITROACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇NO₃
CH$EXACT_MASS: 165.04259
CH$SMILES: CC(=O)c(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3
CH$LINK: INCHIKEY ARKIFHPFTHVKDT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1025722

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$SPLASH: splash10-0udi-6900000000-9480015db2f7bd40b696
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  39 2 20
  43 27.74 277
  50 10.39 104
  51 4.82 48
  62 1.24 12
  63 2.96 30
  64 2 20
  65 3.99 40
  74 4.13 41
  75 7.23 72
  76 21.75 218
  77 6.81 68
  89 1.58 16
  91 6.19 62
  92 5.85 59
  104 33.24 332
  105 2.34 23
  119 1.1 11
  120 1.79 18
  122 2.2 22
  150 99.99 999
  151 7.98 80
  165 10.19 102
  166 0.83 8
//