ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004436
RECORD_TITLE: 5-SEC-BUTYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 5-SEC-BUTYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE
CH$NAME: 5-SEC-BUTYLURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂N₂O₂
CH$EXACT_MASS: 168.08988
CH$SMILES: CCC(C)C(=C1)C(=O)NC(=O)N1
CH$IUPAC: InChI=1S/C8H12N2O2/c1-3-5(2)6-4-9-8(12)10-7(6)11/h4-5H,3H2,1-2H3,(H2,9,10,11,12)
CH$LINK: INCHIKEY WJJQDMCCKSOEST-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70343052

AC$INSTRUMENT: MS-902
AC$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$SPLASH: splash10-000j-9800000000-18dcfe704b4313881d40
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  36 2.1 21
  37 0.6 6
  38 1.6 16
  39 1.56 16
  40 3.5 35
  41 20.2 202
  42 4.1 41
  43 0.11 1
  44 3.6 36
  50 1 10
  51 2 20
  52 0.25 3
  53 7.1 71
  54 8.7 87
  55 3 30
  56 0.08 1
  57 0.3 3
  62 0.2 2
  63 0.4 4
  64 0.03 0
  65 1.6 16
  66 1.9 19
  67 5.8 58
  68 1.47 15
  69 5.4 54
  70 1.8 18
  71 0.5 5
  76 0.04 0
  76.5 0.8 8
  77 0.8 8
  78 1.1 11
  79 0.07 1
  80 3.4 34
  81 3.1 31
  82 7.3 73
  83 0.06 1
  84 0.3 3
  92 0.4 4
  93 0.2 2
  94 0.05 1
  95 0.6 6
  96 58.2 582
  97 3.6 36
  98 0.03 0
  108 0.4 4
  109 0.3 3
  110 6.7 67
  111 0.06 1
  112 0.3 3
  113 0.7 7
  114 0.3 3
  122 0.02 0
  123 0.6 6
  124 0.5 5
  125 3.8 38
  126 0.35 4
  127 0.2 2
  137 0.2 2
  138 0.5 5
  139 99.99 999
  140 10 100
  141 0.8 8
  151 0.5 5
  152 0.02 0
  153 9.8 98
  158 0.8 8
  167 0.7 7
  168 1.88 19
  169 1.9 19
  170 0.2 2
//