ACCESSION: MSBNK-RIKEN-PR010098
RECORD_TITLE: Adenosine; GC-EI-TOF; MS; 4 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$NAME: Adenosine
CH$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: CHEBI 16335
CH$LINK: CHEMPDB ADN
CH$LINK: KEGG C00212
CH$LINK: NIKKAJI J4.501B
CH$LINK: PUBCHEM CID:60961
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$CHROMATOGRAPHY: RETENTION_INDEX 2628.8
AC$CHROMATOGRAPHY: RETENTION_TIME 588.856 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C22H45N5O4Si4
MS$FOCUSED_ION: DERIVATIVE_MASS 555.25486
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9460000000-3ae19bfaa5d2df72f9b1
PK$NUM_PEAK: 194
PK$PEAK: m/z int. rel.int.
  60 4 4
  61 5 5
  65 1 1
  66 2 2
  67 3 3
  69 7 7
  70 6 6
  71 5 5
  72 17 17
  73 999 999
  74 91 91
  75 57 57
  76 4 4
  77 5 5
  79 3 3
  81 4 4
  82 1 1
  83 3 3
  84 17 17
  85 14 14
  86 4 4
  87 4 4
  88 2 2
  89 9 9
  90 1 1
  93 1 1
  95 2 2
  96 1 1
  97 5 5
  98 3 3
  99 14 14
  100 5 5
  101 19 19
  102 3 3
  103 107 107
  104 10 10
  105 5 5
  106 1 1
  108 1 1
  109 4 4
  110 2 2
  111 15 15
  112 2 2
  113 8 8
  114 2 2
  115 19 19
  116 11 11
  117 20 20
  118 2 2
  119 5 5
  120 1 1
  121 1 1
  122 1 1
  123 2 2
  124 1 1
  125 2 2
  126 2 2
  127 4 4
  128 1 1
  129 31 31
  130 5 5
  131 15 15
  132 4 4
  133 27 27
  134 4 4
  135 5 5
  136 2 2
  137 3 3
  138 5 5
  139 1 1
  140 1 1
  141 3 3
  142 4 4
  143 14 14
  144 4 4
  145 5 5
  146 1 1
  147 84 84
  148 14 14
  149 12 12
  150 3 3
  151 3 3
  152 1 1
  153 4 4
  154 1 1
  155 1 1
  156 1 1
  157 6 6
  158 2 2
  159 1 1
  161 1 1
  162 3 3
  163 1 1
  164 4 4
  165 21 21
  166 5 5
  167 1 1
  168 1 1
  169 20 20
  170 3 3
  171 3 3
  173 1 1
  175 1 1
  176 5 5
  177 3 3
  178 1 1
  179 2 2
  180 4 4
  181 2 2
  189 8 8
  190 3 3
  191 8 8
  192 76 76
  193 12 12
  194 3 3
  203 1 1
  204 4 4
  205 3 3
  206 20 20
  207 15 15
  208 44 44
  209 9 9
  210 2 2
  215 3 3
  216 2 2
  217 73 73
  218 17 17
  219 9 9
  220 4 4
  221 2 2
  222 1 1
  223 1 1
  229 2 2
  230 185 185
  231 42 42
  232 19 19
  233 3 3
  234 3 3
  235 1 1
  236 162 162
  237 28 28
  238 8 8
  239 1 1
  243 30 30
  244 7 7
  245 72 72
  246 16 16
  247 7 7
  248 2 2
  250 1 1
  257 2 2
  258 8 8
  259 16 16
  260 4 4
  261 1 1
  262 1 1
  263 1 1
  264 11 11
  265 3 3
  266 2 2
  278 4 4
  279 10 10
  280 20 20
  281 5 5
  282 2 2
  291 1 1
  292 1 1
  306 9 9
  307 2 2
  308 2 2
  320 2 2
  321 1 1
  322 13 13
  323 3 3
  324 1 1
  334 5 5
  335 1 1
  337 4 4
  338 1 1
  348 6 6
  349 2 2
  350 1 1
  362 1 1
  375 1 1
  376 1 1
  394 1 1
  450 1 1
  452 1 1
  465 1 1
  539 2 2
  540 7 7
  541 4 4
  542 2 2
  555 1 1
//