ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002049
RECORD_TITLE: 5-TERT-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$NAME: 5-TERT-BUTYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE
CH$NAME: 5-TERT-BUTYLURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂N₂O₂
CH$EXACT_MASS: 168.08988
CH$SMILES: O=C(N1)NC(=O)C(=C1)C(C)(C)C
CH$IUPAC: InChI=1S/C8H12N2O2/c1-8(2,3)5-4-9-7(12)10-6(5)11/h4H,1-3H3,(H2,9,10,11,12)
CH$LINK: INCHIKEY FFVVCDOCJNTZKL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30343851

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$SPLASH: splash10-0w29-5900000000-ddc9b28d37f60974fa83
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  38 1.4 14
  39 12.1 121
  40 1.6 16
  41 1.23 12
  42 10.4 104
  43 3.2 32
  44 2.9 29
  50 0.11 1
  51 2.4 24
  52 1.3 13
  53 5.5 55
  54 0.15 2
  55 9.3 93
  56 1.4 14
  57 3.6 36
  65 0.29 3
  66 2.5 25
  67 6.3 63
  68 22.1 221
  69 0.43 4
  70 2.6 26
  71 1.3 13
  76 1.6 16
  76.5 0.27 3
  77 1.1 11
  79 1.1 11
  80 5.9 59
  81 0.36 4
  82 15.4 154
  83 3.9 39
  92 12.5 125
  96 0.11 1
  97 1 10
  110 58 580
  111 4.8 48
  125 1.13 11
  126 22.7 227
  127 1.5 15
  149 1.1 11
  151 0.12 1
  153 99.99 999
  154 9.3 93
  167 1.3 13
  168 3.13 31
  169 3.2 32
//