MassBank Record: KZ000012



 Adenine; GC-EI-TOF; MS; 2 TMS; BP:264 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000012
RECORD_TITLE: Adenine; GC-EI-TOF; MS; 2 TMS; BP:264
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_01429_P000144

CH$NAME: Adenine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H5N5 CH$EXACT_MASS: 135.05450 CH$SMILES: C1=NC2=C(N1)C(=NC=N2)N CH$IUPAC: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) CH$LINK: CAS 73-24-5 CH$LINK: KEGG C00147 CH$LINK: INCHIKEY GFFGJBXGBJISGV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022557
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 2116.5 AC$CHROMATOGRAPHY: RETENTION_TIME 969.562 sec
MS$FOCUSED_ION: BASE_PEAK 264 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-03di-3490000000-7efe9518c90307a43707 PK$NUM_PEAK: 149 PK$PEAK: m/z int. rel.int. 82 8 8 83 11 11 84 229 229 85 124 124 86 34 34 87 7 7 88 7 7 89 1 1 90 1 1 91 1 1 92 8 8 93 12 12 94 6 6 95 20 20 96 13 13 97 12 12 98 18 18 99 97 97 100 59 59 101 24 24 102 5 5 103 2 2 104 1 1 106 1 1 107 6 6 108 5 5 109 8 8 110 15 15 111 68 68 112 10 10 113 8 8 114 4 4 115 2 2 116 6 6 117 1 1 118 1 1 119 5 5 120 2 2 121 3 3 122 9 9 123 23 23 124 11 11 125 17 17 126 6 6 127 3 3 128 1 1 129 1 1 130 20 20 131 3 3 132 3 3 133 1 1 134 3 3 135 13 13 136 7 7 137 20 20 138 21 21 139 6 6 140 3 3 141 7 7 142 2 2 143 1 1 146 1 1 147 2 2 148 2 2 149 9 9 150 8 8 151 9 9 152 11 11 153 4 4 154 3 3 155 3 3 156 2 2 157 6 6 158 1 1 161 1 1 162 8 8 163 4 4 164 23 23 165 67 67 166 14 14 167 7 7 168 4 4 169 1 1 171 3 3 172 1 1 175 2 2 176 23 23 177 6 6 178 5 5 179 13 13 180 18 18 181 4 4 182 3 3 183 4 4 184 1 1 189 1 1 190 3 3 191 22 22 192 162 162 193 26 26 194 12 12 195 3 3 196 3 3 197 1 1 204 1 1 205 2 2 206 38 38 207 14 14 208 4 4 209 2 2 210 3 3 211 2 2 220 1 1 221 9 9 222 9 9 223 4 4 224 2 2 234 4 4 235 4 4 236 4 4 237 20 20 238 15 15 239 4 4 240 1 1 247 1 1 248 12 12 249 5 5 250 2 2 251 2 2 252 1 1 262 4 4 263 26 26 264 999 999 265 235 235 266 85 85 267 13 13 268 2 2 270 1 1 271 1 1 272 1 1 273 1 1 274 1 1 275 1 1 277 1 1 278 27 27 279 156 156 280 39 39 281 14 14 282 2 2 //

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