MassBank Record: PR010126



 2'-Deoxyadenosine; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
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ACCESSION: PR010126
RECORD_TITLE: 2'-Deoxyadenosine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 2'-Deoxyadenosine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H13N5O3 CH$EXACT_MASS: 251.10184 CH$SMILES: OC[C@@H](O1)[C@@H](O)C[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 CH$IUPAC: InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1 CH$LINK: CAS 16373-93-6
AC$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 2626.2 AC$CHROMATOGRAPHY: RETENTION_TIME 584.269 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C19H37N5O3Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 467.22042 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-05fr-9750000000-34ebf7e59598c6551f52 PK$NUM_PEAK: 192 PK$PEAK: m/z int. rel.int. 60 10 10 61 11 11 62 1 1 63 1 1 64 1 1 65 2 2 66 7 7 67 4 4 68 1 1 69 4 4 70 10 10 71 10 10 72 23 23 73 999 999 74 89 89 75 94 94 76 9 9 77 11 11 78 2 2 79 9 9 80 3 3 81 100 100 82 8 8 83 5 5 84 33 33 85 23 23 86 7 7 87 7 7 88 3 3 89 8 8 90 1 1 91 1 1 92 2 2 93 2 2 94 2 2 95 4 4 96 5 5 97 5 5 98 5 5 99 24 24 100 9 9 101 37 37 102 5 5 103 235 235 104 22 22 105 11 11 106 1 1 107 2 2 108 6 6 109 7 7 110 8 8 111 27 27 112 4 4 113 10 10 114 2 2 115 7 7 116 6 6 117 44 44 118 6 6 119 7 7 120 2 2 121 2 2 122 2 2 123 5 5 124 2 2 125 5 5 126 2 2 127 7 7 128 2 2 129 22 22 130 4 4 131 10 10 132 2 2 133 22 22 134 4 4 135 9 9 136 5 5 137 6 6 138 8 8 139 2 2 140 1 1 141 2 2 142 11 11 143 10 10 144 2 2 145 20 20 146 3 3 147 36 36 148 7 7 149 7 7 150 4 4 151 5 5 152 2 2 153 1 1 155 23 23 156 4 4 157 6 6 158 1 1 159 1 1 161 2 2 162 7 7 163 3 3 164 20 20 165 48 48 166 12 12 167 3 3 169 17 17 170 19 19 171 12 12 172 3 3 173 1 1 174 2 2 175 2 2 176 10 10 177 5 5 178 3 3 179 3 3 180 28 28 181 8 8 182 2 2 188 1 1 189 12 12 190 8 8 191 12 12 192 302 302 193 49 49 194 14 14 195 1 1 198 1 1 199 1 1 200 1 1 201 1 1 202 2 2 203 1 1 204 3 3 205 3 3 206 32 32 207 314 314 208 202 202 209 40 40 210 8 8 211 1 1 215 2 2 217 19 19 218 32 32 219 12 12 220 5 5 221 3 3 222 1 1 231 1 1 232 2 2 233 4 4 234 17 17 235 5 5 236 113 113 237 38 38 238 8 8 239 2 2 245 3 3 246 2 2 249 1 1 250 1 1 259 1 1 260 1 1 262 1 1 264 6 6 265 1 1 266 2 2 278 1 1 279 3 3 280 5 5 281 1 1 282 1 1 288 1 1 306 1 1 322 1 1 334 1 1 335 1 1 348 1 1 349 3 3 350 2 2 351 2 2 362 1 1 364 1 1 377 2 2 378 1 1 452 4 4 453 2 2 466 1 1 467 9 9 468 4 4 469 2 2 //