ACCESSION: MSBNK-RIKEN-PR010100
RECORD_TITLE: Uracil; GC-EI-TOF; MS; 2 TMS; BP:99
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$NAME: Uracil
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₄N₂O₂
CH$EXACT_MASS: 112.02728
CH$SMILES: O=C(C=1)NC(=O)NC1
CH$IUPAC: InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
CH$LINK: CAS 66-22-8
CH$LINK: CHEBI 17568
CH$LINK: CHEMPDB URA
CH$LINK: KEGG C00106
CH$LINK: NIKKAJI J4.842I
CH$LINK: PUBCHEM 3406
CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021424

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$CHROMATOGRAPHY: RETENTION_INDEX 1331.4
AC$CHROMATOGRAPHY: RETENTION_TIME 323.107 sec

MS$FOCUSED_ION: BASE_PEAK 99
MS$FOCUSED_ION: DERIVATIVE_FORM C10H20N2O2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 256.10633
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-006t-9740000000-e884a4b98e7e9dc75e5f
PK$NUM_PEAK: 143
PK$PEAK: m/z int. rel.int.
  60 13 13
  61 16 16
  62 4 4
  63 3 3
  64 1 1
  65 3 3
  66 37 37
  67 18 18
  68 2 2
  69 19 19
  70 98 98
  71 45 45
  72 118 118
  73 794 794
  74 77 77
  75 63 63
  76 22 22
  77 20 20
  78 4 4
  79 19 19
  80 3 3
  81 1 1
  82 8 8
  83 12 12
  84 27 27
  85 79 79
  86 35 35
  87 19 19
  88 3 3
  89 4 4
  90 1 1
  91 3 3
  92 3 3
  93 3 3
  94 4 4
  95 8 8
  96 26 26
  97 14 14
  98 43 43
  99 999 999
  100 207 207
  101 80 80
  102 17 17
  103 16 16
  104 3 3
  105 31 31
  106 7 7
  107 1 1
  108 1 1
  109 34 34
  110 8 8
  111 15 15
  112 9 9
  113 260 260
  114 28 28
  115 18 18
  116 6 6
  117 29 29
  118 5 5
  119 6 6
  120 5 5
  121 1 1
  123 1 1
  124 6 6
  125 5 5
  126 227 227
  127 35 35
  128 14 14
  129 4 4
  130 3 3
  131 86 86
  132 17 17
  133 45 45
  134 7 7
  135 3 3
  137 1 1
  138 2 2
  139 4 4
  140 6 6
  141 7 7
  142 7 7
  143 3 3
  144 4 4
  145 1 1
  146 1 1
  147 536 536
  148 81 81
  149 42 42
  150 4 4
  151 1 1
  152 1 1
  153 17 17
  154 3 3
  155 2 2
  156 9 9
  157 14 14
  158 15 15
  159 4 4
  160 2 2
  161 1 1
  166 5 5
  167 7 7
  168 3 3
  169 18 18
  170 4 4
  171 3 3
  172 4 4
  173 2 2
  174 6 6
  175 1 1
  181 2 2
  182 6 6
  183 16 16
  184 8 8
  185 17 17
  186 4 4
  187 2 2
  195 1 1
  196 1 1
  197 3 3
  198 3 3
  199 3 3
  200 1 1
  211 4 4
  212 4 4
  213 3 3
  214 1 1
  225 4 4
  226 1 1
  227 1 1
  239 20 20
  240 8 8
  241 501 501
  242 107 107
  243 46 46
  244 7 7
  245 1 1
  254 2 2
  255 251 251
  256 225 225
  257 61 61
  258 19 19
  259 3 3
//