ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008234
RECORD_TITLE: 4-ACETOXYNITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 4-ACETOXYNITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7NO4
CH$EXACT_MASS: 181.03751
CH$SMILES: CC(=O)Oc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3
CH$LINK: INCHIKEY QAUUDNIGJSLPSX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2061191
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0006-9100000000-37bcbed03e2c36fc88ac
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 6.55 66
  28 8.56 86
  29 2.14 21
  30 2.03 20
  38 2.8 28
  39 5.23 52
  42 2.83 28
  43 99.99 999
  44 3.99 40
  63 4.93 49
  64 2.47 25
  65 6.05 61
  81 2.17 22
  93 4.44 44
  109 6.15 62
  123 3.46 35
  139 8.58 86
  181 5.38 54
//
