ACCESSION: MSBNK-Osaka_Univ-OUF00029
RECORD_TITLE: 2-Deoxyribose 5-phosphate; GC-EI-TOF; MS; n TMS; RT:774.5702191 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$NAME: 2'-Deoxyribose-5'-Phosphate
CH$NAME: 2-Deoxyribose 5-phosphate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₁₁O₇P
CH$EXACT_MASS: 214.02424
CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)1
CH$IUPAC: InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5?/m0/s1
CH$LINK: CAS 7685-50-9
CH$LINK: CHEMSPIDER 615
CH$LINK: PUBCHEM 635
CH$LINK: INCHIKEY KKZFLSZAWCYPOC-PYHARJCCSA-N

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$CHROMATOGRAPHY: RETENTION_INDEX 2006.836
AC$CHROMATOGRAPHY: RETENTION_TIME 774.5702191 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0i01-0932000000-5462baa01577bdd7e852
PK$NUM_PEAK: 209
PK$PEAK: m/z int. rel.int.
  85 62 62
  86 57 57
  87 68 68
  88 7 7
  89 389 389
  90 33 33
  91 47 47
  92 1 1
  93 7 7
  94 27 27
  95 6 6
  96 63 63
  97 13 13
  98 42 42
  99 65 65
  100 39 39
  101 999 999
  102 129 129
  103 268 268
  104 26 26
  105 190 190
  106 26 26
  107 34 34
  108 8 8
  109 13 13
  110 425 425
  111 46 46
  112 16 16
  113 31 31
  114 17 17
  115 119 119
  116 517 517
  117 155 155
  118 21 21
  119 60 60
  120 9 9
  121 35 35
  123 13 13
  124 4 4
  126 120 120
  127 109 109
  128 79 79
  129 462 462
  130 67 67
  131 143 143
  132 17 17
  133 563 563
  134 79 79
  135 184 184
  136 19 19
  137 52 52
  139 10 10
  140 36 36
  141 19 19
  142 277 277
  143 132 132
  144 38 38
  145 26 26
  146 1 1
  147 664 664
  148 113 113
  149 87 87
  150 14 14
  151 46 46
  152 46 46
  153 16 16
  154 17 17
  155 8 8
  156 9 9
  157 4 4
  158 68 68
  159 19 19
  161 3 3
  163 32 32
  165 20 20
  167 12 12
  168 293 293
  169 70 70
  170 28 28
  171 18 18
  172 26 26
  173 581 581
  174 179 179
  175 37 37
  177 13 13
  178 11 11
  179 12 12
  180 6 6
  181 89 89
  182 12 12
  183 33 33
  184 31 31
  185 9 9
  186 32 32
  188 5 5
  189 11 11
  190 4 4
  191 54 54
  192 11 11
  193 82 82
  194 14 14
  195 77 77
  196 22 22
  197 34 34
  198 46 46
  199 25 25
  200 112 112
  201 11 11
  202 23 23
  203 7 7
  204 3 3
  205 2 2
  207 139 139
  208 26 26
  209 7 7
  210 4 4
  211 528 528
  212 119 119
  213 56 56
  214 13 13
  215 6 6
  216 9 9
  217 251 251
  218 35 35
  219 9 9
  221 4 4
  222 7 7
  225 105 105
  226 18 18
  227 232 232
  228 42 42
  229 22 22
  232 6 6
  241 11 11
  242 24 24
  243 114 114
  244 21 21
  245 4 4
  253 21 21
  254 1 1
  255 7 7
  256 9 9
  257 1 1
  258 18 18
  259 8 8
  260 7 7
  261 1 1
  263 2 2
  264 1 1
  266 3 3
  269 10 10
  270 1 1
  274 1 1
  276 3 3
  283 33 33
  284 6 6
  285 50 50
  286 14 14
  290 1 1
  298 18 18
  299 711 711
  300 343 343
  301 145 145
  302 34 34
  311 1 1
  313 16 16
  314 48 48
  315 899 899
  316 322 322
  317 158 158
  318 22 22
  319 7 7
  320 1 1
  322 1 1
  327 1 1
  330 10 10
  332 7 7
  338 1 1
  340 4 4
  341 36 36
  342 10 10
  349 4 4
  354 3 3
  356 23 23
  357 393 393
  358 158 158
  359 61 61
  360 10 10
  362 7 7
  364 1 1
  366 1 1
  369 5 5
  370 1 1
  373 8 8
  374 3 3
  380 4 4
  386 4 4
  387 51 51
  388 25 25
  389 17 17
  390 14 14
  417 1 1
  418 1 1
  423 4 4
  456 1 1
  459 1 1
  467 3 3
  478 2 2
  500 4 4
//