ACCESSION: MSBNK-RIKEN-PR010050
RECORD_TITLE: D-Glucose 6-phosphate; GC-EI-TOF; MS; 6 TMS; 1 MEOX; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: D-Glucose-6-phosphate
CH$NAME: D-Glucose 6-phosphate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₃O₉P
CH$EXACT_MASS: 260.02972
CH$SMILES: OC(O1)[C@H](O)[C@@H](O)[C@H](O)[C@H]1COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
CH$LINK: CAS 54010-71-8
CH$LINK: NIKKAJI J279.560D
CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-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$CHROMATOGRAPHY: RETENTION_INDEX 2300.2
AC$CHROMATOGRAPHY: RETENTION_TIME 538.069 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C25H64NO9PSi6
MS$FOCUSED_ION: DERIVATIVE_MASS 721.29343
MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS; 1 MEOX
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9522000000-81266970683faa1f2aaf
PK$NUM_PEAK: 214
PK$PEAK: m/z int. rel.int.
  60 5 5
  61 8 8
  63 1 1
  65 1 1
  66 3 3
  67 3 3
  69 3 3
  70 4 4
  71 4 4
  72 15 15
  73 999 999
  74 84 84
  75 66 66
  76 5 5
  77 14 14
  78 1 1
  79 6 6
  80 1 1
  81 2 2
  82 8 8
  83 2 2
  84 3 3
  85 6 6
  86 4 4
  87 4 4
  88 1 1
  89 43 43
  90 4 4
  91 2 2
  96 1 1
  97 2 2
  98 1 1
  99 5 5
  100 9 9
  101 38 38
  102 10 10
  103 29 29
  104 3 3
  105 21 21
  106 3 3
  107 1 1
  110 1 1
  111 2 2
  112 2 2
  113 6 6
  114 9 9
  115 8 8
  116 14 14
  117 14 14
  118 2 2
  119 5 5
  121 1 1
  126 1 1
  127 4 4
  128 4 4
  129 67 67
  130 15 15
  131 24 24
  132 4 4
  133 47 47
  134 7 7
  135 9 9
  136 1 1
  137 2 2
  138 2 2
  140 1 1
  141 2 2
  142 4 4
  143 9 9
  144 2 2
  145 6 6
  146 1 1
  147 112 112
  148 18 18
  149 14 14
  150 1 1
  151 4 4
  152 1 1
  153 1 1
  154 1 1
  155 1 1
  156 2 2
  157 33 33
  158 7 7
  159 3 3
  160 76 76
  161 15 15
  162 4 4
  163 4 4
  165 1 1
  167 1 1
  168 1 1
  169 3 3
  170 2 2
  171 1 1
  172 1 1
  173 3 3
  174 1 1
  175 1 1
  177 1 1
  179 1 1
  180 1 1
  181 4 4
  182 1 1
  183 1 1
  186 3 3
  187 1 1
  189 7 7
  190 2 2
  191 11 11
  192 2 2
  193 5 5
  194 1 1
  195 4 4
  196 2 2
  197 2 2
  198 1 1
  200 1 1
  201 1 1
  203 2 2
  204 12 12
  205 5 5
  206 1 1
  207 11 11
  208 2 2
  209 2 2
  210 2 2
  211 25 25
  212 6 6
  213 3 3
  214 1 1
  215 3 3
  216 4 4
  217 34 34
  218 8 8
  219 3 3
  221 2 2
  225 9 9
  226 1 1
  227 6 6
  228 5 5
  229 4 4
  230 3 3
  231 5 5
  232 2 2
  233 1 1
  234 1 1
  241 1 1
  242 1 1
  243 4 4
  244 2 2
  245 1 1
  246 1 1
  247 9 9
  248 2 2
  253 2 2
  254 1 1
  255 1 1
  256 1 1
  259 1 1
  262 1 1
  268 1 1
  269 3 3
  270 2 2
  274 2 2
  275 1 1
  283 3 3
  284 1 1
  285 3 3
  286 2 2
  291 1 1
  298 3 3
  299 79 79
  300 24 24
  301 12 12
  302 3 3
  303 1 1
  305 1 1
  313 2 2
  314 4 4
  315 37 37
  316 10 10
  317 5 5
  318 1 1
  319 1 1
  328 1 1
  331 11 11
  332 3 3
  333 1 1
  341 3 3
  342 1 1
  343 1 1
  356 2 2
  357 27 27
  358 8 8
  359 4 4
  360 1 1
  364 1 1
  371 1 1
  373 2 2
  374 1 1
  385 1 1
  386 12 12
  387 101 101
  388 37 37
  389 23 23
  390 6 6
  391 2 2
  403 1 1
  470 1 1
  471 12 12
  472 5 5
  473 3 3
  474 1 1
//