ACCESSION: MSBNK-RIKEN-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$LINK: CAS 16373-93-6
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2626.2
AC$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
//