ACCESSION: MSBNK-RIKEN-PR010169
RECORD_TITLE: Inosine; 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$NAME: Inosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₂N₄O₅
CH$EXACT_MASS: 268.08077
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2
CH$IUPAC: InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
CH$LINK: CAS 58-63-9
CH$LINK: CHEBI 17596
CH$LINK: KEGG C00294
CH$LINK: NIKKAJI J1.388I
CH$LINK: PUBCHEM 3588
CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N
CH$LINK: COMPTOX DTXSID2045993

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$CHROMATOGRAPHY: RETENTION_INDEX 2557.8
AC$CHROMATOGRAPHY: RETENTION_TIME 613.296 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C22H44N4O5Si4
MS$FOCUSED_ION: DERIVATIVE_MASS 556.23888
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9440000000-566aadb777ee03fb22fb
PK$NUM_PEAK: 197
PK$PEAK: m/z int. rel.int.
  60 5 5
  61 9 9
  62 1 1
  63 1 1
  64 1 1
  65 2 2
  66 4 4
  67 4 4
  69 9 9
  70 7 7
  71 6 6
  72 22 22
  73 999 999
  74 91 91
  75 71 71
  76 6 6
  77 13 13
  78 2 2
  79 9 9
  80 1 1
  81 4 4
  82 1 1
  83 2 2
  84 12 12
  85 10 10
  86 4 4
  87 5 5
  88 2 2
  89 11 11
  90 1 1
  91 1 1
  92 1 1
  93 1 1
  94 1 1
  95 2 2
  96 1 1
  97 6 6
  98 2 2
  99 9 9
  100 5 5
  101 18 18
  102 3 3
  103 100 100
  104 10 10
  105 5 5
  106 1 1
  107 1 1
  109 1 1
  110 7 7
  111 12 12
  112 3 3
  113 9 9
  114 2 2
  115 16 16
  116 10 10
  117 22 22
  118 3 3
  119 5 5
  120 1 1
  123 2 2
  124 2 2
  125 3 3
  126 2 2
  127 4 4
  128 1 1
  129 33 33
  130 4 4
  131 16 16
  132 3 3
  133 29 29
  134 5 5
  135 3 3
  136 1 1
  137 1 1
  138 7 7
  139 2 2
  140 2 2
  141 3 3
  142 4 4
  143 16 16
  144 3 3
  145 7 7
  146 2 2
  147 81 81
  148 13 13
  149 11 11
  150 3 3
  151 1 1
  152 1 1
  153 3 3
  154 1 1
  155 2 2
  156 2 2
  157 6 6
  158 2 2
  159 1 1
  161 1 1
  162 1 1
  163 3 3
  164 1 1
  165 2 2
  166 8 8
  167 2 2
  168 1 1
  169 17 17
  170 3 3
  171 3 3
  172 1 1
  173 1 1
  175 1 1
  176 1 1
  177 4 4
  178 1 1
  179 1 1
  180 1 1
  181 1 1
  189 7 7
  190 1 1
  191 4 4
  192 3 3
  193 57 57
  194 9 9
  195 3 3
  203 1 1
  204 3 3
  205 3 3
  206 3 3
  207 14 14
  208 6 6
  209 23 23
  210 4 4
  211 1 1
  215 4 4
  216 1 1
  217 116 116
  218 25 25
  219 13 13
  220 2 2
  221 3 3
  222 1 1
  229 2 2
  230 91 91
  231 23 23
  232 10 10
  233 2 2
  234 1 1
  235 2 2
  236 1 1
  237 35 35
  238 6 6
  239 2 2
  243 24 24
  244 6 6
  245 57 57
  246 13 13
  247 6 6
  248 1 1
  249 1 1
  257 2 2
  258 6 6
  259 33 33
  260 8 8
  261 3 3
  265 7 7
  266 2 2
  267 2 2
  279 2 2
  280 13 13
  281 41 41
  282 11 11
  283 4 4
  307 9 9
  308 2 2
  309 3 3
  310 1 1
  320 1 1
  321 1 1
  322 1 1
  323 6 6
  324 1 1
  335 3 3
  336 1 1
  338 1 1
  339 1 1
  347 1 1
  348 6 6
  349 2 2
  350 1 1
  363 1 1
  395 2 2
  396 1 1
  453 1 1
  466 1 1
  540 2 2
  541 5 5
  542 3 3
  543 1 1
//