MassBank Record: PR010165



 Hypoxanthine; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010165
RECORD_TITLE: Hypoxanthine; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (2006.12.21, 2011.05.06)
AUTHORS: Kusano MPlant Science Center, RIKEN., Fukushima APlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Hypoxanthine CH$NAME: Purine-6-ol 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$LINK: CHEBI 17368 CH$LINK: CHEMPDB HPA CH$LINK: KEGG C00262 CH$LINK: NIKKAJI J1.934H CH$LINK: PUBCHEM 3560 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N
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$CHROMATOGRAPHY: RETENTION_INDEX 1806.8 AC$CHROMATOGRAPHY: RETENTION_TIME 476.908 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C11H20N4OSi2 MS$FOCUSED_ION: DERIVATIVE_MASS 280.11756 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9340000000-1184c503fb61344c4853 PK$NUM_PEAK: 166 PK$PEAK: m/z int. rel.int. 60 13 13 61 15 15 62 3 3 63 4 4 64 6 6 65 14 14 66 20 20 67 8 8 68 2 2 69 13 13 70 65 65 71 26 26 72 68 68 73 999 999 74 99 99 75 70 70 76 8 8 77 39 39 78 11 11 79 46 46 80 8 8 81 7 7 82 5 5 83 8 8 84 168 168 85 53 53 86 28 28 87 7 7 88 2 2 89 3 3 90 2 2 91 3 3 92 6 6 93 9 9 94 6 6 95 23 23 96 12 12 97 9 9 98 19 19 99 22 22 100 49 49 101 9 9 102 5 5 103 3 3 104 1 1 105 2 2 106 2 2 107 4 4 108 2 2 109 4 4 110 19 19 111 35 35 112 14 14 113 5 5 114 3 3 115 5 5 116 3 3 117 5 5 118 2 2 119 5 5 120 1 1 121 2 2 122 3 3 123 20 20 124 12 12 125 44 44 126 7 7 127 2 2 128 6 6 129 1 1 130 4 4 131 26 26 132 8 8 133 9 9 134 2 2 135 1 1 136 4 4 137 4 4 138 13 13 139 11 11 140 3 3 141 3 3 142 3 3 143 3 3 144 2 2 147 32 32 148 8 8 149 3 3 150 7 7 151 4 4 152 13 13 153 7 7 154 3 3 155 2 2 156 3 3 157 3 3 158 30 30 159 7 7 160 2 2 163 3 3 164 3 3 165 12 12 166 41 41 167 8 8 168 3 3 169 2 2 170 3 3 171 3 3 172 33 33 173 15 15 174 4 4 175 2 2 177 9 9 178 2 2 179 4 4 180 11 11 181 30 30 182 6 6 183 3 3 184 1 1 185 1 1 191 10 10 192 12 12 193 41 41 194 7 7 195 3 3 196 1 1 197 5 5 198 1 1 205 2 2 206 54 54 207 30 30 208 13 13 209 3 3 210 1 1 211 6 6 212 2 2 213 1 1 221 1 1 222 7 7 223 6 6 224 4 4 225 1 1 235 4 4 236 2 2 237 3 3 238 16 16 239 8 8 240 3 3 249 10 10 250 3 3 251 2 2 252 2 2 253 1 1 263 1 1 264 7 7 265 410 410 266 99 99 267 39 39 268 6 6 269 1 1 279 15 15 280 134 134 281 34 34 282 12 12 283 2 2 //