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MassBank Record: JP002913

P-ACETOXY NITROBENZEN; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP002913
RECORD_TITLE: P-ACETOXY NITROBENZEN; 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$NAME: P-ACETOXY NITROBENZEN
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9100000000-37bcbed03e2c36fc88ac
PK$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
//

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