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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002912

M-ACETOXY NITROBENZENE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002912
RECORD_TITLE: M-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$NAME: M-ACETOXY NITROBENZENE
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-8852693278d5c3cd134d
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  15 4.92 49
  30 2.22 22
  38 2.3 23
  39 3.8 38
  43 99.99 999
  44 3.58 36
  63 4.61 46
  64 2.63 26
  65 4.75 48
  93 7.71 77
  139 6.84 68
  181 5.32 53
//

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