ACCESSION: MSBNK-Osaka_Univ-OUF00024
RECORD_TITLE: 2'-Deoxyguanosine; GC-EI-TOF; MS; n TMS; RT:1027.340 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$NAME: 2-Deoxyguanosine
CH$NAME: 2'-Deoxyguanosine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₃N₅O₄
CH$EXACT_MASS: 267.09675
CH$SMILES: OC[C@@H](O1)[C@@H](O)C[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC(N)2
CH$IUPAC: InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
CH$LINK: CAS 961-07-9
CH$LINK: CHEBI 17172 209074
CH$LINK: CHEMSPIDER 163230
CH$LINK: COMPTOX DTXSID30883626
CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N
CH$LINK: KEGG C00330
CH$LINK: PUBCHEM CID:135398592

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$CHROMATOGRAPHY: RETENTION_INDEX 2776.651
AC$CHROMATOGRAPHY: RETENTION_TIME 1027.340 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-001j-0891000000-3d776d25cb03b01b9339
PK$NUM_PEAK: 239
PK$PEAK: m/z int. rel.int.
  85 30 30
  86 9 9
  87 29 29
  88 4 4
  89 32 32
  90 1 1
  92 3 3
  93 4 4
  95 2 2
  96 6 6
  97 3 3
  98 16 16
  99 85 85
  100 47 47
  101 81 81
  102 24 24
  103 717 717
  104 76 76
  105 32 32
  111 68 68
  112 12 12
  113 22 22
  114 9 9
  115 15 15
  116 12 12
  117 117 117
  118 17 17
  119 21 21
  120 3 3
  122 13 13
  124 9 9
  125 23 23
  126 11 11
  127 17 17
  128 6 6
  129 60 60
  130 27 27
  131 85 85
  132 36 36
  133 80 80
  134 34 34
  135 12 12
  136 1 1
  137 10 10
  138 15 15
  139 9 9
  140 23 23
  141 18 18
  142 7 7
  143 15 15
  144 20 20
  145 54 54
  146 43 43
  147 226 226
  148 56 56
  149 31 31
  150 6 6
  151 3 3
  152 17 17
  153 8 8
  154 5 5
  155 34 34
  156 15 15
  157 32 32
  158 53 53
  159 21 21
  160 7 7
  161 8 8
  162 3 3
  164 11 11
  165 26 26
  166 83 83
  167 22 22
  168 6 6
  169 27 27
  171 72 72
  172 40 40
  173 16 16
  174 6 6
  175 4 4
  176 7 7
  177 5 5
  178 8 8
  179 8 8
  180 6 6
  181 4 4
  182 19 19
  183 2 2
  184 5 5
  185 4 4
  187 17 17
  189 35 35
  190 35 35
  191 35 35
  192 26 26
  193 2 2
  195 5 5
  197 11 11
  198 8 8
  201 2 2
  202 9 9
  203 2 2
  205 11 11
  206 30 30
  207 26 26
  208 28 28
  214 2 2
  216 5 5
  217 19 19
  218 4 4
  219 14 14
  220 10 10
  221 18 18
  222 26 26
  223 9 9
  224 4 4
  225 1 1
  226 1 1
  227 4 4
  228 5 5
  229 2 2
  232 9 9
  233 7 7
  234 17 17
  236 11 11
  237 7 7
  238 24 24
  239 15 15
  240 8 8
  245 1 1
  246 8 8
  247 7 7
  248 11 11
  250 2 2
  251 16 16
  252 9 9
  253 4 4
  255 2 2
  256 2 2
  258 1 1
  260 2 2
  263 4 4
  264 79 79
  265 24 24
  266 17 17
  268 1 1
  269 2 2
  270 3 3
  271 5 5
  274 5 5
  275 4 4
  276 6 6
  277 4 4
  278 27 27
  279 45 45
  280 999 999
  281 306 306
  282 144 144
  283 29 29
  286 3 3
  287 7 7
  288 3 3
  289 6 6
  290 11 11
  291 14 14
  292 9 9
  293 4 4
  294 58 58
  295 654 654
  296 216 216
  297 88 88
  298 33 33
  299 2 2
  305 4 4
  306 73 73
  307 36 36
  308 18 18
  309 9 9
  311 1 1
  313 3 3
  315 2 2
  316 5 5
  318 1 1
  319 3 3
  320 4 4
  321 6 6
  322 29 29
  323 10 10
  324 42 42
  325 20 20
  326 16 16
  330 2 2
  332 1 1
  333 3 3
  334 4 4
  335 1 1
  338 3 3
  348 4 4
  350 11 11
  351 5 5
  352 12 12
  353 3 3
  354 1 1
  357 2 2
  360 8 8
  363 1 1
  364 4 4
  368 1 1
  375 3 3
  376 2 2
  392 1 1
  394 7 7
  395 3 3
  396 3 3
  400 1 1
  418 3 3
  419 2 2
  422 1 1
  424 4 4
  425 1 1
  426 3 3
  440 3 3
  441 2 2
  442 1 1
  443 2 2
  444 1 1
  447 1 1
  452 6 6
  453 6 6
  456 3 3
  458 3 3
  466 10 10
  467 1 1
  468 1 1
  469 4 4
  470 1 1
  479 1 1
  482 2 2
  492 1 1
//