MassBank Record: JP002911

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O-ACETOXY NITROBENZENE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP002911
RECORD_TITLE: O-ACETOXY NITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: O-ACETOXY NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7NO4
CH$EXACT_MASS: 181.0375099999999974897946231067180633544921875
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$LINK: COMPTOX DTXSID7060590
CH$LINK: INCHIKEY MRCKRGSNLOHYRA-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9200000000-50d8071a1816eb862d72
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  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
  63 6.84 68
  64 4.74 47
  65 4.74 47
  81 2.95 30
  93 2.13 21
  109 2.51 25
  139 37.27 373
  140 2.7 27
  181 3.04 30
//