ACCESSION: MSBNK-Osaka_Univ-OUF00339
RECORD_TITLE: Maltitol; GC-EI-TOF; MS; n TMS; RT:1036.131 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$NAME: Maltitol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₂H₂₄O₁₁
CH$EXACT_MASS: 344.13186
CH$SMILES: OCC(O)C(O)C([H])(C(O)CO)OC(O1)C(O)C(O)C(O)C(CO)1
CH$IUPAC: InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1
CH$LINK: CAS 585-88-6
CH$LINK: CHEBI 203534
CH$LINK: CHEMSPIDER 432001
CH$LINK: PUBCHEM CID:493591
CH$LINK: INCHIKEY VQHSOMBJVWLPSR-WUJBLJFYSA-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$CHROMATOGRAPHY: RETENTION_INDEX 2807.753
AC$CHROMATOGRAPHY: RETENTION_TIME 1036.131 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0uxs-0952000000-b7f978a79c1e8d933177
PK$NUM_PEAK: 248
PK$PEAK: m/z int. rel.int.
  85 5 5
  86 21 21
  87 14 14
  88 63 63
  89 7 7
  90 5 5
  91 1 1
  92 3 3
  93 3 3
  94 6 6
  95 2 2
  96 23 23
  97 3 3
  98 18 18
  99 3 3
  100 67 67
  101 14 14
  102 658 658
  103 64 64
  104 31 31
  105 2 2
  106 2 2
  107 1 1
  108 17 17
  109 2 2
  110 17 17
  111 3 3
  112 25 25
  113 6 6
  114 21 21
  115 29 29
  116 385 385
  117 40 40
  118 28 28
  119 3 3
  120 2 2
  122 1 1
  124 4 4
  125 2 2
  126 15 15
  127 4 4
  128 351 351
  129 45 45
  130 82 82
  131 13 13
  132 144 144
  133 22 22
  134 15 15
  135 2 2
  136 1 1
  138 7 7
  139 2 2
  140 12 12
  141 14 14
  142 71 71
  143 11 11
  144 21 21
  145 5 5
  146 999 999
  147 161 161
  148 114 114
  149 14 14
  150 9 9
  151 2 2
  152 11 11
  153 4 4
  154 51 51
  155 11 11
  156 53 53
  157 8 8
  158 12 12
  159 2 2
  160 11 11
  161 2 2
  162 17 17
  163 3 3
  164 2 2
  165 2 2
  166 10 10
  167 3 3
  168 165 165
  169 27 27
  170 17 17
  171 3 3
  172 10 10
  173 3 3
  174 16 16
  175 4 4
  176 12 12
  177 3 3
  178 3 3
  179 1 1
  180 4 4
  181 2 2
  182 44 44
  183 8 8
  184 6 6
  185 1 1
  186 6 6
  187 2 2
  188 90 90
  189 27 27
  190 186 186
  191 34 34
  192 17 17
  193 2 2
  194 2 2
  195 1 1
  196 1 1
  198 5 5
  199 1 1
  200 6 6
  201 5 5
  202 31 31
  203 670 670
  204 335 335
  205 99 99
  206 37 37
  207 6 6
  208 2 2
  210 1 1
  212 1 1
  214 14 14
  215 6 6
  216 653 653
  217 153 153
  218 71 71
  219 12 12
  220 33 33
  221 8 8
  222 5 5
  223 1 1
  224 1 1
  226 4 4
  227 2 2
  228 22 22
  229 14 14
  230 93 93
  231 22 22
  232 16 16
  233 4 4
  234 2 2
  236 1 1
  238 3 3
  239 1 1
  240 7 7
  241 4 4
  242 73 73
  243 21 21
  244 20 20
  245 5 5
  246 9 9
  247 2 2
  248 2 2
  254 26 26
  255 8 8
  256 17 17
  257 5 5
  258 17 17
  259 4 4
  260 3 3
  261 1 1
  262 2 2
  264 8 8
  265 2 2
  266 2 2
  268 1 1
  269 1 1
  270 72 72
  271 19 19
  272 19 19
  273 4 4
  274 3 3
  276 6 6
  277 4 4
  278 3 3
  279 1 1
  282 1 1
  284 1 1
  286 1 1
  287 1 1
  288 2 2
  289 1 1
  290 16 16
  291 6 6
  292 4 4
  293 1 1
  296 1 1
  302 1 1
  303 3 3
  304 21 21
  305 15 15
  306 42 42
  307 15 15
  308 6 6
  309 2 2
  316 8 8
  317 6 6
  318 69 69
  319 26 26
  320 13 13
  321 3 3
  322 1 1
  328 1 1
  329 1 1
  330 31 31
  331 17 17
  332 10 10
  333 4 4
  334 1 1
  343 1 1
  344 51 51
  345 21 21
  346 11 11
  347 3 3
  348 1 1
  358 2 2
  359 9 9
  360 437 437
  361 154 154
  362 77 77
  363 19 19
  364 5 5
  365 1 1
  372 2 2
  373 1 1
  408 3 3
  409 1 1
  418 6 6
  419 4 4
  420 9 9
  421 5 5
  422 2 2
  433 1 1
  434 4 4
  435 2 2
  436 1 1
  449 2 2
  450 19 19
  451 10 10
  452 5 5
  453 2 2
  462 2 2
  463 3 3
  464 2 2
  465 1 1
  474 1 1
  475 1 1
//