MassBank Record: PR010100



 Uracil; GC-EI-TOF; MS; 2 TMS; BP:99 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //