ACCESSION: MSBNK-Kazusa-KZ000003
RECORD_TITLE: 2'-Deoxyadenosine; GC-EI-TOF; MS; 3 TMS; BP:207
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01389_P000025

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$LINK: CAS 958-09-8
CH$LINK: KEGG C00559
CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N
CH$LINK: COMPTOX DTXSID10883624

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 2858.7
AC$CHROMATOGRAPHY: RETENTION_TIME 1208.06 sec

MS$FOCUSED_ION: BASE_PEAK 207
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0pbc-1950000000-892b755b10f34bcfa1c7
PK$NUM_PEAK: 229
PK$PEAK: m/z int. rel.int.
  82 48 48
  83 35 35
  84 171 171
  85 112 112
  86 35 35
  87 32 32
  88 16 16
  89 41 41
  90 6 6
  91 5 5
  92 13 13
  93 13 13
  94 10 10
  95 25 25
  96 34 34
  97 24 24
  98 20 20
  99 100 100
  100 35 35
  101 148 148
  102 22 22
  103 804 804
  104 80 80
  105 42 42
  106 8 8
  107 12 12
  108 29 29
  109 37 37
  110 34 34
  111 117 117
  112 20 20
  113 49 49
  114 9 9
  115 28 28
  116 25 25
  117 153 153
  118 21 21
  119 33 33
  120 10 10
  121 9 9
  122 11 11
  123 21 21
  124 12 12
  125 27 27
  126 8 8
  127 34 34
  128 8 8
  129 82 82
  130 16 16
  131 40 40
  132 11 11
  133 94 94
  134 19 19
  135 42 42
  136 20 20
  137 28 28
  138 32 32
  139 7 7
  140 4 4
  141 9 9
  142 35 35
  143 40 40
  144 8 8
  145 67 67
  146 12 12
  147 145 145
  148 28 28
  149 29 29
  150 18 18
  151 19 19
  152 9 9
  153 5 5
  154 3 3
  155 124 124
  156 22 22
  157 27 27
  158 7 7
  159 6 6
  160 3 3
  161 10 10
  162 33 33
  163 12 12
  164 77 77
  165 178 178
  166 43 43
  167 13 13
  168 4 4
  169 87 87
  170 90 90
  171 45 45
  172 10 10
  173 6 6
  174 8 8
  175 10 10
  176 35 35
  177 18 18
  178 13 13
  179 10 10
  180 88 88
  181 25 25
  182 8 8
  183 2 2
  184 2 2
  185 2 2
  186 1 1
  187 2 2
  188 6 6
  189 42 42
  190 29 29
  191 46 46
  192 998 998
  193 163 163
  194 49 49
  195 8 8
  196 4 4
  197 3 3
  198 4 4
  199 3 3
  200 4 4
  201 4 4
  202 9 9
  203 7 7
  204 11 11
  205 14 14
  206 110 110
  207 999 999
  208 633 633
  209 127 127
  210 29 29
  211 5 5
  212 1 1
  213 1 1
  214 1 1
  215 7 7
  216 3 3
  217 70 70
  218 131 131
  219 45 45
  220 19 19
  221 11 11
  222 6 6
  223 3 3
  224 2 2
  225 1 1
  226 1 1
  228 1 1
  229 1 1
  230 2 2
  231 5 5
  232 9 9
  233 13 13
  234 54 54
  235 19 19
  236 337 337
  237 112 112
  238 27 27
  239 6 6
  240 1 1
  242 1 1
  243 2 2
  244 2 2
  245 8 8
  246 8 8
  247 3 3
  248 2 2
  249 4 4
  250 3 3
  251 1 1
  259 3 3
  260 4 4
  261 2 2
  262 5 5
  263 2 2
  264 21 21
  265 6 6
  266 6 6
  267 1 1
  272 1 1
  274 2 2
  275 1 1
  276 1 1
  278 3 3
  279 10 10
  280 16 16
  281 4 4
  282 3 3
  287 2 2
  288 2 2
  290 1 1
  291 1 1
  292 1 1
  294 1 1
  296 1 1
  304 1 1
  305 1 1
  306 4 4
  307 2 2
  308 2 2
  309 1 1
  321 1 1
  322 3 3
  323 1 1
  333 1 1
  334 6 6
  335 5 5
  336 2 2
  348 4 4
  349 8 8
  350 6 6
  351 5 5
  352 1 1
  359 1 1
  361 1 1
  362 5 5
  363 2 2
  364 5 5
  365 1 1
  376 1 1
  377 5 5
  378 2 2
  451 3 3
  452 12 12
  453 6 6
  454 2 2
  466 6 6
  467 24 24
  468 10 10
  469 5 5
  470 1 1
//