MassBank Record: KZ000035



 Hypoxanthine; GC-EI-TOF; MS; 2 TMS; BP:265 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000035
RECORD_TITLE: Hypoxanthine; GC-EI-TOF; MS; 2 TMS; BP:265
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_01522_P000138

CH$NAME: Hypoxanthine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H4N4O CH$EXACT_MASS: 136.03851 CH$SMILES: C1=NC2=C(N1)C(=O)N=CN2 CH$IUPAC: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) CH$LINK: CAS 68-94-0 CH$LINK: KEGG C00262 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983
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 2069.1 AC$CHROMATOGRAPHY: RETENTION_TIME 946.263 sec
MS$FOCUSED_ION: BASE_PEAK 265 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0159-3970000000-0d844fae4a1ffe158823 PK$NUM_PEAK: 177 PK$PEAK: m/z int. rel.int. 82 17 17 83 27 27 84 486 486 85 166 166 86 89 89 87 26 26 88 8 8 89 12 12 90 9 9 91 13 13 92 23 23 93 37 37 94 22 22 95 82 82 96 44 44 97 33 33 98 72 72 99 79 79 100 165 165 101 34 34 102 19 19 103 15 15 104 6 6 105 8 8 106 10 10 107 16 16 108 11 11 109 17 17 110 70 70 111 128 128 112 57 57 113 23 23 114 13 13 115 19 19 116 12 12 117 22 22 118 7 7 119 22 22 120 7 7 121 10 10 122 14 14 123 74 74 124 46 46 125 179 179 126 30 30 127 12 12 128 26 26 129 7 7 130 17 17 131 112 112 132 34 34 133 39 39 134 12 12 135 7 7 136 18 18 137 15 15 138 53 53 139 46 46 140 15 15 141 12 12 142 15 15 143 12 12 144 8 8 145 2 2 146 3 3 147 131 131 148 33 33 149 14 14 150 29 29 151 18 18 152 48 48 153 30 30 154 13 13 155 11 11 156 13 13 157 14 14 158 129 129 159 30 30 160 12 12 161 4 4 162 3 3 163 14 14 164 12 12 165 50 50 166 160 160 167 31 31 168 14 14 169 11 11 170 16 16 171 14 14 172 144 144 173 68 68 174 19 19 175 11 11 176 3 3 177 34 34 178 9 9 179 16 16 180 46 46 181 134 134 182 28 28 183 14 14 184 6 6 185 4 4 186 1 1 187 1 1 189 2 2 190 2 2 191 45 45 192 51 51 193 170 170 194 30 30 195 14 14 196 5 5 197 23 23 198 7 7 199 3 3 200 1 1 204 1 1 205 10 10 206 234 234 207 128 128 208 60 60 209 16 16 210 7 7 211 29 29 212 10 10 213 5 5 214 1 1 219 1 1 220 2 2 221 4 4 222 25 25 223 24 24 224 17 17 225 6 6 226 2 2 227 1 1 233 1 1 234 1 1 235 14 14 236 9 9 237 10 10 238 53 53 239 28 28 240 9 9 241 2 2 248 1 1 249 27 27 250 11 11 251 6 6 252 5 5 253 2 2 254 1 1 255 1 1 263 3 3 264 13 13 265 999 999 266 254 254 267 100 100 268 16 16 269 3 3 270 1 1 271 1 1 272 1 1 273 1 1 274 1 1 275 1 1 276 1 1 277 1 1 278 1 1 279 39 39 280 367 367 281 93 93 282 37 37 283 6 6 284 1 1 //

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