MassBank Record: OUF00015



 2,6-Diaminopurine; GC-EI-TOF; MS; n TMS; RT:840.956 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00015
RECORD_TITLE: 2,6-Diaminopurine; GC-EI-TOF; MS; n TMS; RT:840.956 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$NAME: 2,6-Diaminopurine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H6N6 CH$EXACT_MASS: 150.06539 CH$SMILES: C1=NC2=C(N1)C(=NC(=N2)N)N CH$IUPAC: InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11) CH$LINK: CAS 1904-98-9 CH$LINK: CHEMSPIDER 28738 CH$LINK: PUBCHEM 30976 CH$LINK: INCHIKEY MSSXOMSJDRHRMC-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$CHROMATOGRAPHY: RETENTION_INDEX 2186.720 AC$CHROMATOGRAPHY: RETENTION_TIME 840.956 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0udi-3938000000-4868e65400e99cbb961f PK$NUM_PEAK: 238 PK$PEAK: m/z int. rel.int. 85 169 169 86 92 92 87 22 22 88 97 97 89 10 10 90 5 5 91 1 1 92 6 6 93 8 8 94 8 8 95 21 21 96 21 21 97 23 23 98 60 60 99 630 630 100 324 324 101 79 79 102 32 32 103 7 7 104 3 3 106 1 1 107 5 5 108 5 5 109 11 11 110 45 45 111 125 125 112 29 29 113 59 59 114 52 52 115 32 32 116 58 58 117 15 15 118 11 11 119 1 1 120 1 1 121 5 5 122 8 8 123 16 16 124 37 37 125 37 37 126 32 32 127 25 25 128 9 9 129 10 10 130 424 424 131 79 79 132 42 42 133 7 7 134 7 7 135 12 12 136 8 8 137 14 14 138 84 84 139 38 38 140 44 44 141 69 69 142 34 34 143 20 20 144 10 10 145 3 3 146 54 54 147 10 10 148 6 6 149 11 11 150 8 8 151 17 17 152 61 61 153 29 29 154 17 17 155 49 49 156 39 39 157 60 60 158 16 16 159 6 6 160 5 5 161 1 1 162 1 1 163 5 5 164 20 20 165 83 83 166 26 26 167 44 44 168 65 65 169 24 24 170 12 12 171 198 198 172 56 56 173 21 21 174 4 4 176 5 5 177 9 9 178 18 18 179 56 56 180 33 33 181 38 38 182 118 118 183 43 43 184 17 17 185 5 5 186 2 2 187 18 18 188 5 5 189 3 3 190 24 24 191 9 9 192 10 10 193 31 31 194 29 29 195 17 17 196 21 21 197 19 19 198 8 8 199 2 2 200 1 1 202 2 2 203 1 1 204 3 3 205 10 10 206 9 9 207 19 19 208 13 13 209 11 11 210 16 16 211 6 6 212 13 13 213 4 4 214 3 3 215 1 1 218 1 1 219 2 2 220 5 5 221 50 50 222 34 34 223 18 18 224 8 8 225 5 5 226 2 2 231 1 1 233 11 11 234 8 8 235 14 14 236 29 29 237 167 167 238 55 55 239 24 24 240 6 6 241 2 2 242 2 2 243 1 1 244 2 2 245 1 1 246 3 3 247 23 23 248 11 11 249 12 12 250 11 11 251 36 36 252 48 48 253 36 36 254 12 12 255 3 3 261 3 3 262 37 37 263 299 299 264 81 81 265 31 31 266 23 23 267 15 15 268 4 4 269 1 1 270 1 1 276 3 3 277 38 38 278 43 43 279 35 35 280 14 14 281 4 4 291 1 1 292 3 3 293 34 34 294 19 19 295 7 7 296 2 2 297 1 1 304 1 1 307 1 1 308 3 3 309 12 12 310 6 6 311 6 6 312 2 2 319 2 2 320 3 3 321 4 4 322 3 3 323 2 2 324 3 3 325 2 2 326 1 1 333 2 2 334 14 14 335 121 121 336 106 106 337 46 46 338 18 18 339 4 4 340 1 1 341 2 2 342 4 4 343 5 5 344 5 5 345 4 4 346 6 6 347 5 5 348 5 5 349 19 19 350 57 57 351 999 999 352 460 460 353 201 201 354 58 58 355 16 16 356 5 5 357 3 3 358 5 5 359 4 4 360 4 4 361 5 5 362 5 5 363 3 3 364 4 4 365 49 49 366 550 550 367 224 224 368 98 98 369 27 27 370 7 7 371 1 1 //