ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008283
RECORD_TITLE: 3-METHYLURACIL; 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$NAME: 3-METHYLURACIL
CH$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$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-00ou-9300000000-ec9aae794e6589b21ed2
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  14 4.07 41
  15 8.64 86
  18 1.54 15
  26 5.37 54
  27 2.83 28
  28 40.71 407
  29 3.33 33
  30 3.19 32
  38 1.75 18
  39 3.05 31
  40 24.26 243
  41 25.84 258
  42 47.65 477
  43 0.76 8
  44 1.54 15
  52 0.96 10
  53 2.81 28
  54 2.03 20
  55 5.94 59
  56 9.73 97
  58 6.21 62
  68 14.8 148
  69 90.09 901
  70 15.03 150
  71 0.79 8
  82 3.49 35
  83 0.53 5
  84 1.8 18
  96 5.35 54
  97 5.8 58
  98 5.98 60
  126 99.99 999
  127 17.67 177
  128 1.34 13
//