ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009614
RECORD_TITLE: METHYL 3-NITROPHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3-NITROPHENYL KETONE
CH$NAME: 3-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$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0udi-7900000000-93a7d3e239ff6f3ce391
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 1 10
  30 2.8 28
  38 2.2 22
  39 0.4 4
  42 1.9 19
  43 50.6 506
  44 1.2 12
  50 1.86 19
  51 8.2 82
  62 2.2 22
  63 5.6 56
  64 0.32 3
  65 5.2 52
  74 6.8 68
  75 11 110
  76 3 30
  77 9 90
  89 3 30
  90 1.6 16
  91 0.87 9
  92 6.8 68
  104 35.5 355
  105 2.8 28
  119 0.18 2
  122 2.7 27
  150 99.99 999
  151 8.2 82
  165 3.27 33
  166 3 30
//