MassBank Record: KZ000077



 Thymine; GC-EI-TOF; MS; 2 TMS; BP:255 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000077
RECORD_TITLE: Thymine; GC-EI-TOF; MS; 2 TMS; BP:255
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01683_P000090

CH$NAME: Thymine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H6N2O2 CH$EXACT_MASS: 126.04293 CH$SMILES: CC(=C1)C(=O)NC(=O)N1 CH$IUPAC: InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) CH$LINK: CAS 65-71-4 CH$LINK: KEGG C00178 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1522.0 AC$CHROMATOGRAPHY: RETENTION_TIME 706.362 sec
MS$FOCUSED_ION: BASE_PEAK 255 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0bt9-0960000000-50722d1f64f22b69e207 PK$NUM_PEAK: 132 PK$PEAK: m/z int. rel.int. 82 10 10 83 18 18 84 55 55 85 32 32 86 41 41 87 13 13 88 3 3 89 4 4 91 3 3 92 2 2 93 7 7 94 2 2 95 5 5 96 5 5 97 6 6 98 12 12 99 29 29 100 98 98 101 14 14 102 8 8 103 10 10 104 1 1 105 10 10 106 42 42 107 10 10 108 2 2 109 5 5 110 16 16 111 16 16 112 26 26 113 637 637 114 70 70 115 34 34 116 7 7 117 22 22 118 3 3 119 4 4 120 90 90 121 8 8 122 1 1 123 7 7 124 3 3 125 4 4 126 5 5 127 18 18 128 7 7 129 5 5 130 3 3 131 72 72 132 14 14 133 39 39 134 5 5 135 3 3 137 1 1 138 2 2 139 15 15 140 118 118 141 17 17 142 11 11 143 4 4 144 7 7 145 2 2 146 2 2 147 457 457 148 69 69 149 33 33 150 3 3 151 1 1 152 1 1 153 2 2 154 10 10 155 4 4 156 2 2 157 8 8 158 32 32 159 6 6 160 3 3 167 2 2 168 1 1 169 8 8 170 4 4 171 2 2 172 2 2 174 5 5 175 1 1 180 2 2 181 7 7 182 8 8 183 10 10 184 7 7 185 25 25 186 5 5 187 3 3 188 1 1 195 1 1 196 3 3 197 10 10 198 5 5 199 3 3 200 1 1 210 1 1 211 2 2 212 4 4 213 3 3 214 2 2 215 1 1 225 3 3 226 3 3 227 1 1 239 25 25 240 16 16 241 4 4 242 1 1 253 4 4 254 10 10 255 999 999 256 213 213 257 83 83 258 12 12 259 2 2 260 1 1 261 2 2 262 2 2 263 2 2 264 2 2 265 2 2 266 2 2 269 14 14 270 206 206 271 44 44 272 15 15 273 2 2 //

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