MassBank Record: OUF00273



 Hypoxanthine; GC-EI-TOF; MS; n TMS; RT:695.675 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00273
RECORD_TITLE: Hypoxanthine; GC-EI-TOF; MS; n TMS; RT:695.675 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

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: CHEBI 17368 464746 CH$LINK: CHEMSPIDER 768 CH$LINK: KEGG C00262 CH$LINK: PUBCHEM 790 CH$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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500 AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min) AC$CHROMATOGRAPHY: RETENTION_INDEX 1811.161 AC$CHROMATOGRAPHY: RETENTION_TIME 695.675 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-014i-1790000000-ae93bf8bf07b30b65e1a PK$NUM_PEAK: 138 PK$PEAK: m/z int. rel.int. 85 114 114 86 62 62 87 12 12 89 6 6 90 2 2 91 3 3 92 16 16 93 16 16 94 9 9 95 54 54 96 23 23 97 22 22 98 52 52 99 62 62 100 104 104 101 18 18 102 9 9 103 7 7 105 3 3 106 3 3 108 2 2 109 7 7 110 43 43 111 93 93 112 38 38 113 9 9 114 6 6 115 8 8 116 8 8 117 13 13 118 2 2 119 12 12 120 4 4 121 3 3 122 3 3 123 44 44 124 27 27 125 118 118 126 24 24 127 7 7 128 14 14 129 1 1 130 7 7 131 72 72 132 22 22 133 25 25 134 4 4 136 12 12 137 7 7 138 40 40 139 32 32 141 4 4 142 4 4 143 8 8 144 5 5 147 87 87 148 19 19 149 10 10 150 18 18 151 8 8 152 33 33 153 22 22 154 7 7 155 1 1 156 5 5 157 7 7 158 87 87 159 16 16 160 7 7 163 6 6 164 3 3 165 29 29 166 105 105 167 17 17 168 7 7 170 5 5 171 3 3 172 103 103 173 47 47 174 4 4 175 6 6 177 14 14 178 1 1 179 6 6 180 30 30 181 94 94 182 12 12 183 9 9 184 2 2 185 4 4 191 24 24 192 27 27 193 139 139 194 20 20 195 7 7 197 5 5 198 1 1 205 2 2 206 147 147 207 93 93 208 46 46 209 5 5 211 13 13 212 6 6 213 2 2 220 1 1 221 1 1 222 18 18 223 11 11 224 10 10 225 6 6 235 9 9 236 5 5 237 3 3 238 43 43 239 25 25 240 12 12 247 2 2 249 25 25 250 6 6 251 3 3 252 2 2 264 16 16 265 999 999 266 259 259 267 108 108 268 12 12 271 1 1 279 37 37 280 333 333 281 96 96 282 36 36 313 2 2 340 1 1 374 1 1 410 1 1 477 1 1 499 1 1 //