ACCESSION: MSBNK-Osaka_Univ-OUF00159
RECORD_TITLE: D-Arabinose 5-phosphate; GC-EI-TOF; MS; n TMS; RT:803.445 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$CHROMATOGRAPHY: RETENTION_INDEX 2083.427
AC$CHROMATOGRAPHY: RETENTION_TIME 803.445 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-014j-1954000000-66deca60c06849233c1e
PK$NUM_PEAK: 284
PK$PEAK: m/z int. rel.int.
  85 35 35
  86 24 24
  87 31 31
  88 16 16
  89 315 315
  90 29 29
  91 34 34
  92 5 5
  93 8 8
  94 31 31
  95 5 5
  96 4 4
  97 2 2
  98 21 21
  99 45 45
  100 39 39
  101 253 253
  102 55 55
  103 179 179
  104 22 22
  105 69 69
  106 11 11
  107 15 15
  108 2 2
  109 5 5
  110 3 3
  111 18 18
  112 8 8
  113 40 40
  114 18 18
  115 83 83
  116 86 86
  117 113 113
  118 13 13
  119 68 68
  120 8 8
  121 26 26
  123 8 8
  124 3 3
  125 8 8
  126 35 35
  127 38 38
  128 17 17
  129 636 636
  130 154 154
  131 144 144
  132 26 26
  133 391 391
  134 58 58
  135 112 112
  136 9 9
  137 39 39
  138 8 8
  140 6 6
  141 13 13
  142 22 22
  143 64 64
  144 8 8
  145 22 22
  146 8 8
  147 720 720
  148 129 129
  149 118 118
  150 14 14
  151 47 47
  152 9 9
  153 9 9
  155 3 3
  156 9 9
  157 60 60
  158 140 140
  159 44 44
  160 99 99
  161 26 26
  162 6 6
  163 36 36
  164 6 6
  165 13 13
  166 7 7
  167 14 14
  168 30 30
  169 14 14
  170 7 7
  171 4 4
  172 10 10
  173 33 33
  174 34 34
  175 12 12
  176 7 7
  177 19 19
  178 2 2
  179 14 14
  180 7 7
  181 56 56
  182 13 13
  183 27 27
  184 15 15
  185 7 7
  186 2 2
  188 2 2
  189 50 50
  190 10 10
  191 57 57
  192 11 11
  193 62 62
  194 10 10
  195 62 62
  196 12 12
  197 15 15
  198 25 25
  199 6 6
  200 17 17
  201 4 4
  203 10 10
  204 27 27
  205 68 68
  206 12 12
  207 102 102
  208 16 16
  209 13 13
  210 5 5
  211 333 333
  212 58 58
  213 30 30
  214 8 8
  215 21 21
  216 15 15
  217 758 758
  218 180 180
  219 77 77
  220 13 13
  221 12 12
  222 4 4
  223 3 3
  225 81 81
  226 16 16
  227 84 84
  228 19 19
  229 10 10
  230 5 5
  231 12 12
  233 5 5
  234 1 1
  235 1 1
  238 1 1
  239 4 4
  240 3 3
  241 8 8
  242 7 7
  243 16 16
  244 7 7
  246 4 4
  247 3 3
  249 2 2
  251 2 2
  252 1 1
  253 17 17
  254 7 7
  255 10 10
  256 24 24
  257 15 15
  258 6 6
  260 2 2
  263 2 2
  265 4 4
  267 1 1
  268 5 5
  269 10 10
  270 2 2
  271 4 4
  272 12 12
  274 6 6
  275 2 2
  278 2 2
  281 1 1
  283 24 24
  284 10 10
  285 33 33
  286 7 7
  287 5 5
  288 4 4
  290 2 2
  291 3 3
  292 1 1
  294 5 5
  295 3 3
  296 2 2
  298 22 22
  299 759 759
  300 268 268
  301 129 129
  302 30 30
  303 3 3
  304 7 7
  305 7 7
  306 7 7
  307 7 7
  308 3 3
  309 3 3
  310 2 2
  311 4 4
  313 5 5
  314 37 37
  315 999 999
  316 310 310
  317 158 158
  318 36 36
  319 11 11
  321 2 2
  323 1 1
  324 1 1
  328 17 17
  329 11 11
  330 6 6
  331 7 7
  332 5 5
  333 3 3
  337 3 3
  341 17 17
  342 9 9
  343 5 5
  344 1 1
  345 1 1
  347 2 2
  349 1 1
  354 1 1
  357 51 51
  358 23 23
  359 5 5
  360 4 4
  362 3 3
  363 1 1
  364 1 1
  369 6 6
  371 2 2
  372 3 3
  373 15 15
  374 6 6
  377 3 3
  379 3 3
  383 1 1
  385 3 3
  387 26 26
  388 9 9
  389 13 13
  390 3 3
  391 4 4
  392 1 1
  396 1 1
  401 2 2
  402 2 2
  403 20 20
  404 9 9
  405 2 2
  406 4 4
  423 1 1
  424 1 1
  429 1 1
  431 3 3
  441 3 3
  442 2 2
  443 1 1
  446 3 3
  449 1 1
  450 1 1
  452 1 1
  455 1 1
  458 3 3
  459 53 53
  460 33 33
  461 11 11
  462 3 3
  465 2 2
  467 1 1
  468 2 2
  469 2 2
  472 3 3
  476 1 1
  480 1 1
  481 1 1
  494 1 1
  495 2 2
  496 4 4
  499 2 2
//