ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011284
RECORD_TITLE: N-BENZOYL-PARA-NITROANILINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: N-BENZOYL-PARA-NITROANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀N₂O₃
CH$EXACT_MASS: 242.06914
CH$SMILES: [O-1][N+1](=O)c(c2)ccc(c2)NC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H10N2O3/c16-13(10-4-2-1-3-5-10)14-11-6-8-12(9-7-11)15(17)18/h1-9H,(H,14,16)
CH$LINK: INCHIKEY GMGQGZYFQSCZCW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70187554

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0a4i-6910000000-db71d6897b54931df0f7
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  30 3.56 36
  39 1.55 16
  40 2.1 21
  50 2.82 28
  51 10.73 107
  52 1.61 16
  63 2.45 25
  65 1.47 15
  76 2.25 23
  77 46.66 467
  78 3.37 34
  105 99.99 999
  106 7.87 79
  242 11.12 111
  243 1.94 19
//