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) \n
metabolomics-usi visualisation

ACCESSION: JP011202
RECORD_TITLE: N,N'-DIPHENYLUREA; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 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 //