ACCESSION: MSBNK-Osaka_Univ-OUF00261
RECORD_TITLE: Guanosine; GC-EI-TOF; MS; n TMS; RT:1021.540 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: Guanosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₃N₅O₅
CH$EXACT_MASS: 283.091669
CH$SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N
CH$IUPAC: InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
CH$LINK: CAS 118-00-3
CH$LINK: CHEBI 16750
CH$LINK: CHEMSPIDER 6544
CH$LINK: COMPTOX DTXSID00893055
CH$LINK: INCHIKEY NYHBQMYGNKIUIF-UUOKFMHZSA-N
CH$LINK: KAPPAVIEW KPC00589
CH$LINK: KEGG C00387
CH$LINK: KNAPSACK C00019679
CH$LINK: NIKKAJI J10.076E
CH$LINK: PUBCHEM CID:135398635

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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 2756.301
AC$CHROMATOGRAPHY: RETENTION_TIME 1021.540 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0feb-0963000000-c91b93f300b50fbc99c1
PK$NUM_PEAK: 312
PK$PEAK: m/z int. rel.int.
  85 46 46
  86 28 28
  87 36 36
  88 14 14
  89 92 92
  90 8 8
  91 9 9
  92 7 7
  93 6 6
  94 7 7
  95 14 14
  96 8 8
  97 61 61
  98 28 28
  99 152 152
  100 76 76
  101 128 128
  102 35 35
  103 999 999
  104 95 95
  105 55 55
  106 7 7
  107 8 8
  108 3 3
  109 4 4
  110 18 18
  111 53 53
  112 17 17
  113 64 64
  114 18 18
  115 244 244
  116 71 71
  117 216 216
  118 32 32
  119 37 37
  120 8 8
  121 2 2
  122 7 7
  123 6 6
  124 12 12
  125 23 23
  126 28 28
  127 37 37
  128 15 15
  129 277 277
  130 58 58
  131 186 186
  132 57 57
  133 220 220
  134 69 69
  135 30 30
  136 12 12
  137 7 7
  138 25 25
  139 14 14
  140 15 15
  141 59 59
  142 36 36
  143 135 135
  144 40 40
  145 52 52
  146 103 103
  147 912 912
  148 158 158
  149 111 111
  150 21 21
  151 15 15
  152 14 14
  153 44 44
  154 14 14
  155 24 24
  156 21 21
  157 93 93
  158 77 77
  159 28 28
  160 13 13
  161 9 9
  162 11 11
  163 10 10
  164 14 14
  165 38 38
  166 105 105
  167 27 27
  168 19 19
  169 220 220
  170 44 44
  171 115 115
  172 31 31
  173 38 38
  174 14 14
  175 10 10
  176 13 13
  177 10 10
  178 10 10
  179 12 12
  180 28 28
  181 14 14
  182 19 19
  183 11 11
  184 7 7
  185 4 4
  186 3 3
  187 18 18
  188 12 12
  189 73 73
  190 55 55
  191 53 53
  192 26 26
  193 16 16
  194 12 12
  195 8 8
  196 8 8
  197 8 8
  198 20 20
  199 6 6
  200 3 3
  201 6 6
  203 10 10
  204 17 17
  205 24 24
  206 29 29
  207 23 23
  208 49 49
  209 12 12
  210 19 19
  211 4 4
  212 4 4
  213 3 3
  214 1 1
  215 21 21
  216 9 9
  217 319 319
  218 80 80
  219 47 47
  220 17 17
  221 21 21
  222 24 24
  223 19 19
  224 10 10
  225 5 5
  226 3 3
  227 1 1
  229 22 22
  230 406 406
  231 114 114
  232 59 59
  233 17 17
  234 19 19
  235 5 5
  236 13 13
  237 15 15
  238 34 34
  239 15 15
  240 8 8
  241 1 1
  242 2 2
  243 238 238
  244 63 63
  245 714 714
  246 165 165
  247 74 74
  248 23 23
  249 10 10
  250 12 12
  251 26 26
  252 14 14
  253 7 7
  254 4 4
  256 1 1
  257 15 15
  258 18 18
  259 123 123
  260 35 35
  261 14 14
  262 13 13
  263 7 7
  264 136 136
  265 45 45
  266 23 23
  267 8 8
  268 4 4
  270 1 1
  273 1 1
  276 5 5
  277 8 8
  278 46 46
  279 49 49
  280 606 606
  281 206 206
  282 86 86
  283 21 21
  284 7 7
  285 2 2
  286 2 2
  288 1 1
  289 3 3
  290 5 5
  291 7 7
  292 16 16
  293 15 15
  294 97 97
  295 151 151
  296 199 199
  297 68 68
  298 28 28
  299 7 7
  304 4 4
  305 4 4
  306 13 13
  307 7 7
  308 40 40
  309 22 22
  310 11 11
  311 2 2
  312 1 1
  313 1 1
  315 3 3
  316 2 2
  317 1 1
  318 4 4
  319 5 5
  320 22 22
  321 15 15
  322 15 15
  323 41 41
  324 873 873
  325 264 264
  326 105 105
  327 27 27
  328 6 6
  333 4 4
  334 6 6
  335 6 6
  336 13 13
  337 7 7
  338 7 7
  339 2 2
  347 1 1
  348 26 26
  349 9 9
  350 13 13
  351 12 12
  352 68 68
  353 39 39
  354 20 20
  355 9 9
  358 1 1
  361 1 1
  362 2 2
  363 2 2
  364 3 3
  365 4 4
  366 19 19
  367 40 40
  368 217 217
  369 91 91
  370 39 39
  371 12 12
  372 1 1
  374 1 1
  378 2 2
  380 4 4
  381 3 3
  382 5 5
  383 3 3
  384 1 1
  390 1 1
  392 1 1
  393 10 10
  394 78 78
  395 47 47
  396 24 24
  397 10 10
  398 2 2
  399 1 1
  401 1 1
  408 8 8
  409 27 27
  410 105 105
  411 55 55
  412 26 26
  413 8 8
  414 1 1
  415 2 2
  422 23 23
  423 13 13
  424 8 8
  425 26 26
  426 11 11
  427 6 6
  434 1 1
  436 2 2
  437 2 2
  445 1 1
  448 2 2
  449 2 2
  450 1 1
  451 1 1
  452 1 1
  464 3 3
  465 2 2
  466 1 1
  468 1 1
  477 1 1
  481 2 2
  482 7 7
  483 4 4
  484 1 1
  485 1 1
  487 1 1
  492 1 1
  496 2 2
//