ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011205
RECORD_TITLE: 3-METHYLURACIL; 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$NAME: 3-METHYLURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₆N₂O₂
CH$EXACT_MASS: 126.04293
CH$SMILES: O=C(C=1)N(C)C(=O)NC1
CH$IUPAC: InChI=1S/C5H6N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9)
CH$LINK: INCHIKEY VPLZGVOSFFCKFC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30878779

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$SPLASH: splash10-00ou-9300000000-551e0e5d025fd3c413b3
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  38 1.6 16
  39 4 40
  40 28.6 286
  41 28.2 282
  42 33.4 334
  43 7.9 79
  44 4.4 44
  52 1 10
  53 3.3 33
  54 2.1 21
  55 7.4 74
  56 8.6 86
  57 3.6 36
  58 4.7 47
  67 1.7 17
  68 13.4 134
  69 74.9 749
  70 12.9 129
  71 1.8 18
  81 3.1 31
  82 3.2 32
  83 1.9 19
  84 1.8 18
  96 5.7 57
  97 7.3 73
  98 5 50
  126 99.99 999
  127 7.3 73
//