ACCESSION: MSBNK-Osaka_Univ-OUF00219
RECORD_TITLE: D-(+)-Turanose; GC-EI-TOF; MS; n TMS; RT:1017.749 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$NAME: D-(+)-Turanose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₂H₂₂O₁₁
CH$EXACT_MASS: 342.11621
CH$SMILES: OCC(O1)C(O)C(O)C(O)C([H])1OC(C(O)2)C(O)(CO)OCC(O)2
CH$IUPAC: InChI=1S/C12H22O11/c13-1-5-7(17)8(18)9(19)11(22-5)23-10-6(16)4(15)2-21-12(10,20)3-14/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12?/m1/s1
CH$LINK: CAS 5349-40-6
CH$LINK: CHEMSPIDER 21468735
CH$LINK: INCHIKEY SEWFWJUQVJHATO-PUVWEJBASA-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$CHROMATOGRAPHY: RETENTION_INDEX 2743.000
AC$CHROMATOGRAPHY: RETENTION_TIME 1017.749 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-1001-0952000000-67728cbaad9d6a7b7ad3
PK$NUM_PEAK: 280
PK$PEAK: m/z int. rel.int.
  85 30 30
  86 14 14
  87 27 27
  88 20 20
  89 201 201
  90 21 21
  91 11 11
  92 1 1
  93 1 1
  94 6 6
  95 4 4
  96 5 5
  97 9 9
  98 7 7
  99 23 23
  100 22 22
  101 80 80
  102 22 22
  103 799 799
  104 83 83
  105 44 44
  106 5 5
  107 2 2
  108 4 4
  109 18 18
  110 10 10
  111 15 15
  112 8 8
  113 36 36
  114 87 87
  115 33 33
  116 39 39
  117 402 402
  118 47 47
  119 46 46
  120 5 5
  121 2 2
  122 1 1
  123 1 1
  124 5 5
  125 4 4
  126 33 33
  127 23 23
  128 16 16
  129 321 321
  130 51 51
  131 90 90
  132 21 21
  133 215 215
  134 34 34
  135 21 21
  136 2 2
  137 1 1
  138 3 3
  139 8 8
  140 11 11
  141 15 15
  142 24 24
  143 59 59
  144 14 14
  145 24 24
  146 6 6
  147 999 999
  148 167 167
  149 118 118
  150 16 16
  151 9 9
  152 7 7
  153 13 13
  154 15 15
  155 39 39
  156 28 28
  157 48 48
  158 12 12
  159 17 17
  160 5 5
  161 11 11
  162 2 2
  163 27 27
  164 5 5
  165 3 3
  166 6 6
  167 5 5
  168 18 18
  169 136 136
  170 30 30
  171 21 21
  172 20 20
  173 41 41
  174 11 11
  175 22 22
  176 6 6
  177 15 15
  178 4 4
  179 3 3
  180 11 11
  181 7 7
  182 7 7
  183 14 14
  184 7 7
  185 5 5
  186 9 9
  187 7 7
  188 6 6
  189 88 88
  190 41 41
  191 239 239
  192 51 51
  193 25 25
  194 4 4
  195 2 2
  196 10 10
  197 4 4
  198 12 12
  199 8 8
  200 4 4
  201 12 12
  202 36 36
  203 31 31
  204 449 449
  205 456 456
  206 120 120
  207 51 51
  208 9 9
  209 3 3
  210 1 1
  212 4 4
  213 2 2
  214 77 77
  215 31 31
  216 20 20
  217 589 589
  218 162 162
  219 75 75
  220 15 15
  221 30 30
  222 9 9
  223 4 4
  224 1 1
  226 1 1
  227 5 5
  228 9 9
  229 29 29
  230 22 22
  231 31 31
  232 13 13
  233 17 17
  234 5 5
  235 2 2
  238 1 1
  239 2 2
  240 6 6
  241 9 9
  242 10 10
  243 66 66
  244 103 103
  245 54 54
  246 24 24
  247 11 11
  248 3 3
  249 1 1
  250 1 1
  252 1 1
  253 1 1
  254 5 5
  255 5 5
  256 22 22
  257 17 17
  258 10 10
  259 10 10
  260 35 35
  261 20 20
  262 12 12
  263 47 47
  264 20 20
  265 11 11
  266 3 3
  267 2 2
  268 6 6
  269 4 4
  270 8 8
  271 53 53
  272 30 30
  273 15 15
  274 7 7
  275 55 55
  276 173 173
  277 94 94
  278 40 40
  279 16 16
  280 4 4
  281 1 1
  283 1 1
  284 1 1
  285 1 1
  286 3 3
  287 4 4
  288 8 8
  289 6 6
  290 2 2
  291 16 16
  292 10 10
  293 4 4
  294 1 1
  295 1 1
  300 4 4
  301 2 2
  302 3 3
  303 2 2
  304 4 4
  305 20 20
  306 18 18
  307 205 205
  308 121 121
  309 48 48
  310 17 17
  311 3 3
  314 1 1
  316 1 1
  317 4 4
  318 5 5
  319 20 20
  320 13 13
  321 5 5
  322 2 2
  328 1 1
  329 1 1
  330 2 2
  331 20 20
  332 19 19
  333 14 14
  334 7 7
  335 8 8
  336 6 6
  337 2 2
  344 2 2
  345 6 6
  346 7 7
  347 5 5
  348 3 3
  349 2 2
  358 2 2
  359 5 5
  360 15 15
  361 194 194
  362 140 140
  363 58 58
  364 28 28
  365 10 10
  366 2 2
  375 1 1
  376 2 2
  377 3 3
  378 2 2
  389 3 3
  390 41 41
  391 47 47
  392 29 29
  393 11 11
  394 3 3
  395 1 1
  407 1 1
  434 1 1
  435 3 3
  436 2 2
  449 1 1
  450 3 3
  451 3 3
  452 2 2
  464 1 1
  466 1 1
  479 3 3
  480 21 21
  481 20 20
  482 10 10
  483 3 3
  484 1 1
  497 2 2
  498 2 2
  499 1 1
//