ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008232
RECORD_TITLE: 2-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$NAME: 2-ACETOXYNITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7NO4
CH$EXACT_MASS: 181.03751
CH$SMILES: CC(=O)Oc(c1)c(ccc1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H7NO4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3
CH$LINK: INCHIKEY MRCKRGSNLOHYRA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060590
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$SPLASH: splash10-0006-9200000000-98eca8b0e16144f9c27a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  14 1.2 12
  15 6.8 68
  30 3.6 36
  38 3.33 33
  39 3.97 40
  42 2.33 23
  43 99.99 999
  44 3.01 30
  50 2.01 20
  51 2.17 22
  52 1.81 18
  53 1.73 17
  62 1.8 18
  63 6.84 68
  64 4.74 47
  65 4.74 47
  81 2.95 30
  92 1.32 13
  93 2.13 21
  94 0.92 9
  106 1.35 14
  109 2.51 25
  122 1.24 12
  123 1.5 15
  139 37.27 373
  140 2.7 27
  181 3.04 30
//
