MassBank Record: JP011202

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N,N'-DIPHENYLUREA; EI-B; MS

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

ACCESSION: JP011202
RECORD_TITLE: N,N'-DIPHENYLUREA; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N,N'-DIPHENYLUREA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12N2O
CH$EXACT_MASS: 212.09496
CH$SMILES: O=C(Nc(c2)cccc2)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
CH$LINK: INCHIKEY GWEHVDNNLFDJLR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025183

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-01ox-9040000000-aeb7951e27e369a7e434
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39 3.6 36
  40 1.3 13
  41 1.1 11
  44 1.2 12
  51 2.7 27
  63 1.2 12
  64 1.8 18
  65 8.9 89
  66 7.1 71
  69 1.2 12
  77 7.7 77
  91 2.9 29
  92 8.5 85
  93 99.99 999
  94 9.1 91
  119 4.9 49
  120 1.8 18
  212 62.9 629
  213 11.8 118
//