MassBank Record: JP008282

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URACIL; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP008282
RECORD_TITLE: URACIL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: URACIL
CH$NAME: 2,4(1H,3H)-PYRIMIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H4N2O2
CH$EXACT_MASS: 112.02728
CH$SMILES: O=C(C=1)NC(=O)NC1
CH$IUPAC: InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
CH$LINK: CAS 66-22-8
CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021424

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-02tc-9200000000-4a57c4e06fd552d6a9bf
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  14 8.89 89
  15 2.03 20
  16 23.98 240
  17 40.9 409
  26 5.14 51
  27 4.4 44
  28 37.37 374
  29 4.96 50
  36 16.68 167
  38 8.74 87
  39 5.1 51
  40 27.93 279
  41 30.43 304
  42 58.56 586
  43 4.84 48
  44 9.61 96
  45 8.74 87
  59 1.23 12
  60 3.16 32
  68 18.37 184
  69 69.75 698
  70 7.87 79
  73 2.48 25
  88 2.16 22
  112 99.99 999
  113 7.05 71
  116 5.02 50
//