ACCESSION: MSBNK-Osaka_Univ-OUF00158
RECORD_TITLE: D-Arabinose 5-phosphate; GC-EI-TOF; MS; n TMS; RT:800.795 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$NAME: D-Arabinose-5-phosphate
CH$NAME: D-Arabinose 5-phosphate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₁₁O₈P
CH$EXACT_MASS: 230.01915
CH$SMILES: O=C[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1
CH$LINK: CAS 13137-52-5
CH$LINK: CHEBI 16241
CH$LINK: CHEMSPIDER 163687
CH$LINK: PUBCHEM CID:188324
CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-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$CHROMATOGRAPHY: RETENTION_INDEX 2076.398
AC$CHROMATOGRAPHY: RETENTION_TIME 800.795 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-014j-0954000000-13c360ef6d50c290ff75
PK$NUM_PEAK: 273
PK$PEAK: m/z int. rel.int.
  85 48 48
  86 29 29
  87 39 39
  88 14 14
  89 262 262
  90 28 28
  91 26 26
  92 6 6
  93 8 8
  94 12 12
  95 7 7
  96 8 8
  97 5 5
  98 28 28
  99 47 47
  100 50 50
  101 263 263
  102 72 72
  103 121 121
  104 18 18
  105 85 85
  106 14 14
  107 17 17
  108 3 3
  109 5 5
  110 2 2
  111 19 19
  112 17 17
  113 53 53
  114 44 44
  115 86 86
  116 87 87
  117 98 98
  118 14 14
  119 52 52
  120 6 6
  121 24 24
  122 2 2
  123 7 7
  124 2 2
  125 4 4
  126 40 40
  127 38 38
  128 36 36
  129 626 626
  130 135 135
  131 132 132
  132 25 25
  133 390 390
  134 62 62
  135 107 107
  136 12 12
  137 44 44
  138 6 6
  139 4 4
  140 10 10
  141 13 13
  142 38 38
  143 70 70
  144 15 15
  145 24 24
  146 6 6
  147 719 719
  148 124 124
  149 113 113
  150 17 17
  151 49 49
  152 14 14
  153 9 9
  154 6 6
  155 5 5
  156 14 14
  157 51 51
  158 117 117
  159 34 34
  160 132 132
  161 39 39
  162 11 11
  163 40 40
  164 7 7
  165 14 14
  166 9 9
  167 17 17
  168 89 89
  169 26 26
  170 13 13
  171 5 5
  172 8 8
  173 30 30
  174 34 34
  175 10 10
  176 4 4
  177 14 14
  178 5 5
  179 18 18
  180 5 5
  181 60 60
  182 15 15
  183 27 27
  184 19 19
  185 8 8
  186 7 7
  187 5 5
  188 4 4
  189 51 51
  190 12 12
  191 65 65
  192 13 13
  193 65 65
  194 13 13
  195 59 59
  196 11 11
  197 21 21
  198 51 51
  199 10 10
  200 35 35
  201 7 7
  202 6 6
  203 12 12
  204 45 45
  205 48 48
  206 13 13
  207 88 88
  208 18 18
  209 19 19
  210 7 7
  211 313 313
  212 57 57
  213 35 35
  214 7 7
  215 21 21
  216 46 46
  217 761 761
  218 176 176
  219 78 78
  220 12 12
  221 14 14
  222 2 2
  223 4 4
  224 1 1
  225 89 89
  226 18 18
  227 81 81
  228 22 22
  229 13 13
  230 8 8
  231 29 29
  232 7 7
  233 3 3
  234 1 1
  237 1 1
  239 1 1
  240 7 7
  241 11 11
  242 14 14
  243 13 13
  244 6 6
  245 1 1
  246 4 4
  247 1 1
  248 2 2
  251 1 1
  253 23 23
  254 5 5
  255 11 11
  256 45 45
  257 17 17
  258 13 13
  259 2 2
  260 2 2
  262 3 3
  263 1 1
  265 2 2
  266 1 1
  267 2 2
  268 2 2
  269 15 15
  270 3 3
  271 2 2
  272 37 37
  273 7 7
  274 8 8
  275 2 2
  281 1 1
  283 22 22
  284 10 10
  285 30 30
  286 8 8
  287 5 5
  288 7 7
  289 2 2
  290 3 3
  291 2 2
  294 1 1
  297 2 2
  298 19 19
  299 576 576
  300 224 224
  301 105 105
  302 25 25
  303 6 6
  304 2 2
  305 6 6
  306 5 5
  307 4 4
  308 3 3
  309 5 5
  310 4 4
  311 3 3
  312 1 1
  313 13 13
  314 36 36
  315 999 999
  316 297 297
  317 161 161
  318 36 36
  319 9 9
  320 1 1
  328 13 13
  329 3 3
  330 16 16
  331 13 13
  332 5 5
  333 3 3
  335 1 1
  340 1 1
  341 34 34
  342 14 14
  343 6 6
  344 3 3
  345 1 1
  346 1 1
  347 1 1
  356 3 3
  357 102 102
  358 37 37
  359 16 16
  360 4 4
  362 10 10
  363 4 4
  364 1 1
  369 10 10
  370 4 4
  371 3 3
  372 2 2
  373 26 26
  374 9 9
  375 4 4
  377 1 1
  378 3 3
  385 5 5
  386 4 4
  387 31 31
  388 13 13
  389 10 10
  390 1 1
  391 1 1
  402 4 4
  403 72 72
  404 35 35
  405 16 16
  406 5 5
  407 1 1
  429 1 1
  431 2 2
  432 2 2
  458 2 2
  459 54 54
  460 27 27
  461 12 12
  462 2 2
  483 1 1
  485 1 1
//