ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008233
RECORD_TITLE: 3-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$NAME: 3-ACETOXYNITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7NO4
CH$EXACT_MASS: 181.03751
CH$SMILES: CC(=O)Oc(c1)cc(cc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3
CH$LINK: INCHIKEY HRMRLUUZPLAPAS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0074550
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$SPLASH: splash10-0006-9000000000-f3b1f384fbe14fffe733
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  14 1.46 15
  15 4.92 49
  30 2.22 22
  38 2.3 23
  39 3.8 38
  42 1.36 14
  43 99.99 999
  44 3.58 36
  50 1.28 13
  62 1.43 14
  63 4.61 46
  64 2.63 26
  65 4.75 48
  81 1.83 18
  92 1 10
  93 7.71 77
  109 1.63 16
  123 1.03 10
  139 6.84 68
  181 5.32 53
//
