ACCESSION: MSBNK-Kazusa-KZ000106
RECORD_TITLE: Adenosine; GC-EI-TOF; MS; 4 TMS; BP:236
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_05403_P000047

CH$NAME: Adenosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₃N₅O₄
CH$EXACT_MASS: 267.09675
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2
CH$IUPAC: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
CH$LINK: CAS 58-61-7
CH$LINK: KEGG C00212
CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N
CH$LINK: COMPTOX DTXSID1022558

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 1188.46 sec

MS$FOCUSED_ION: BASE_PEAK 236
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-001v-0691000000-8f88854b7d5adec5c558
PK$NUM_PEAK: 285
PK$PEAK: m/z int. rel.int.
  82 4 4
  83 10 10
  84 67 67
  85 56 56
  86 19 19
  87 16 16
  88 8 8
  89 43 43
  90 4 4
  91 2 2
  92 2 2
  93 3 3
  94 3 3
  95 8 8
  96 5 5
  97 22 22
  98 13 13
  99 60 60
  100 23 23
  101 87 87
  102 16 16
  103 509 509
  104 51 51
  105 26 26
  106 4 4
  107 3 3
  108 8 8
  109 17 17
  110 9 9
  111 64 64
  112 11 11
  113 39 39
  114 8 8
  115 105 105
  116 59 59
  117 103 103
  118 15 15
  119 26 26
  120 5 5
  121 5 5
  122 5 5
  123 13 13
  124 8 8
  125 11 11
  126 11 11
  127 20 20
  128 6 6
  129 147 147
  130 24 24
  131 69 69
  132 18 18
  133 129 129
  134 20 20
  135 24 24
  136 11 11
  137 15 15
  138 24 24
  139 7 7
  140 9 9
  141 20 20
  142 21 21
  143 70 70
  144 23 23
  145 32 32
  146 9 9
  147 437 437
  148 75 75
  149 63 63
  150 17 17
  151 15 15
  152 7 7
  153 21 21
  154 5 5
  155 9 9
  156 9 9
  157 35 35
  158 11 11
  159 9 9
  160 4 4
  161 6 6
  162 18 18
  163 9 9
  164 25 25
  165 100 100
  166 30 30
  167 10 10
  168 8 8
  169 108 108
  170 18 18
  171 16 16
  172 4 4
  173 7 7
  174 4 4
  175 9 9
  176 24 24
  177 15 15
  178 10 10
  179 11 11
  180 19 19
  181 12 12
  182 5 5
  183 4 4
  184 3 3
  185 3 3
  186 2 2
  187 4 4
  188 3 3
  189 49 49
  190 22 22
  191 44 44
  192 381 381
  193 68 68
  194 20 20
  195 4 4
  196 3 3
  197 1 1
  198 1 1
  199 2 2
  200 2 2
  201 4 4
  202 3 3
  203 8 8
  204 22 22
  205 18 18
  206 102 102
  207 80 80
  208 223 223
  209 47 47
  210 14 14
  211 3 3
  212 1 1
  213 1 1
  214 2 2
  215 15 15
  216 10 10
  217 386 386
  218 89 89
  219 52 52
  220 22 22
  221 11 11
  222 5 5
  223 4 4
  224 2 2
  225 1 1
  226 1 1
  227 1 1
  228 2 2
  229 15 15
  230 912 912
  231 220 220
  232 103 103
  233 21 21
  234 17 17
  235 12 12
  236 999 999
  237 183 183
  238 54 54
  239 9 9
  240 2 2
  241 1 1
  242 3 3
  243 218 218
  244 56 56
  245 470 470
  246 111 111
  247 50 50
  248 16 16
  249 6 6
  250 6 6
  251 3 3
  252 2 2
  253 1 1
  257 20 20
  258 58 58
  259 118 118
  260 33 33
  261 13 13
  262 11 11
  263 7 7
  264 78 78
  265 24 24
  266 17 17
  267 4 4
  268 1 1
  274 2 2
  275 1 1
  276 3 3
  277 4 4
  278 36 36
  279 68 68
  280 138 138
  281 37 37
  282 15 15
  283 3 3
  284 1 1
  286 3 3
  287 1 1
  288 2 2
  289 1 1
  290 5 5
  291 8 8
  292 9 9
  293 6 6
  294 7 7
  295 3 3
  296 2 2
  297 1 1
  302 1 1
  303 1 1
  304 4 4
  305 4 4
  306 69 69
  307 21 21
  308 17 17
  309 7 7
  310 3 3
  311 1 1
  317 1 1
  318 3 3
  319 4 4
  320 20 20
  321 13 13
  322 96 96
  323 28 28
  324 11 11
  325 2 2
  331 3 3
  332 3 3
  333 6 6
  334 43 43
  335 13 13
  336 8 8
  337 31 31
  338 13 13
  339 5 5
  340 1 1
  346 6 6
  347 5 5
  348 54 54
  349 18 18
  350 10 10
  351 3 3
  352 1 1
  354 1 1
  360 5 5
  361 2 2
  362 11 11
  363 3 3
  364 2 2
  365 1 1
  374 1 1
  375 9 9
  376 15 15
  377 5 5
  378 5 5
  379 2 2
  380 1 1
  392 3 3
  393 2 2
  394 12 12
  395 5 5
  396 3 3
  397 1 1
  408 4 4
  409 2 2
  410 1 1
  422 1 1
  423 1 1
  424 2 2
  425 1 1
  436 2 2
  437 1 1
  438 1 1
  449 1 1
  450 11 11
  451 7 7
  452 14 14
  453 6 6
  454 2 2
  464 2 2
  465 11 11
  466 7 7
  467 4 4
  468 1 1
  482 1 1
//