ACCESSION: MSBNK-RIKEN-PR010148
RECORD_TITLE: 5,6-Dihydrouracil; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Dihydrouracil
CH$NAME: Hydrouracil
CH$NAME: 5,6-Dihydro-2,4-dihydroxypyrimidine
CH$NAME: Dihydrouracile
CH$NAME: 2,4(1H,3H)-Pyrimidinedione, dihydro-
CH$NAME: 5,6-Dihydrouracil
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₆N₂O₂
CH$EXACT_MASS: 114.04293
CH$SMILES: O=C(C1)NC(=O)NC1
CH$IUPAC: InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
CH$LINK: CAS 504-07-4
CH$LINK: CHEBI 15901
CH$LINK: KEGG C00429
CH$LINK: NIKKAJI J11.667J
CH$LINK: PUBCHEM 3718
CH$LINK: INCHIKEY OIVLITBTBDPEFK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060122

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 1134
AC$CHROMATOGRAPHY: RETENTION_TIME 292.351 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C10H22N2O2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 258.12198
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9700000000-4adeeb2f4f5a1111afb7
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  60 29 29
  61 29 29
  62 2 2
  63 1 1
  65 1 1
  66 27 27
  67 4 4
  69 1 1
  70 228 228
  71 29 29
  72 273 273
  73 999 999
  74 116 116
  75 132 132
  76 13 13
  77 16 16
  78 2 2
  79 15 15
  80 1 1
  84 4 4
  85 16 16
  86 123 123
  87 19 19
  88 33 33
  89 109 109
  90 11 11
  91 5 5
  99 7 7
  100 606 606
  101 61 61
  102 43 43
  103 79 79
  104 12 12
  105 10 10
  106 1 1
  113 2 2
  114 2 2
  115 26 26
  116 11 11
  117 20 20
  118 8 8
  119 15 15
  120 2 2
  121 1 1
  130 8 8
  131 43 43
  132 19 19
  133 172 172
  134 26 26
  135 13 13
  136 1 1
  144 3 3
  145 1 1
  146 54 54
  147 441 441
  148 74 74
  149 36 36
  150 3 3
  158 2 2
  160 29 29
  161 5 5
  162 13 13
  163 7 7
  164 1 1
  174 13 13
  175 2 2
  176 1 1
  188 1 1
  190 22 22
  191 1 1
  192 1 1
  205 14 14
  206 3 3
  207 1 1
  220 49 49
  221 10 10
  222 4 4
  235 39 39
  236 8 8
  237 3 3
//