ACCESSION: MSBNK-Kazusa-KZ000075
RECORD_TITLE: Sucrose; GC-EI-TOF; MS; 8 TMS; BP:103
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01676_P000135

CH$NAME: Sucrose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₂H₂₂O₁₁
CH$EXACT_MASS: 342.11621
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H](CO)2
CH$IUPAC: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
CH$LINK: CAS 57-50-1
CH$LINK: KEGG C00089
CH$LINK: INCHIKEY CZMRCDWAGMRECN-UGDNZRGBSA-N
CH$LINK: COMPTOX DTXSID2021288

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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2492.5
AC$CHROMATOGRAPHY: RETENTION_TIME 1096.86 sec

MS$FOCUSED_ION: BASE_PEAK 103
MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0gba-0930000000-594ae5d59d217235e6c7
PK$NUM_PEAK: 226
PK$PEAK: m/z int. rel.int.
  82 6 6
  83 21 21
  84 1 1
  85 25 25
  86 5 5
  87 27 27
  88 16 16
  89 56 56
  90 4 4
  91 4 4
  93 1 1
  94 1 1
  95 4 4
  96 2 2
  97 13 13
  98 3 3
  99 27 27
  100 5 5
  101 82 82
  102 37 37
  103 999 999
  104 101 101
  105 49 49
  106 3 3
  107 2 2
  108 1 1
  109 43 43
  110 3 3
  111 23 23
  112 4 4
  113 45 45
  114 10 10
  115 32 32
  116 34 34
  117 234 234
  118 25 25
  119 27 27
  120 3 3
  121 2 2
  123 1 1
  125 6 6
  126 2 2
  127 23 23
  128 6 6
  129 564 564
  130 84 84
  131 136 136
  132 21 21
  133 182 182
  134 26 26
  135 19 19
  136 2 2
  137 1 1
  139 11 11
  140 5 5
  141 23 23
  142 20 20
  143 99 99
  144 15 15
  145 29 29
  146 5 5
  147 882 882
  148 158 158
  149 126 126
  150 16 16
  151 13 13
  152 2 2
  153 16 16
  154 5 5
  155 72 72
  156 15 15
  157 97 97
  158 15 15
  159 17 17
  160 3 3
  161 10 10
  162 2 2
  163 20 20
  164 3 3
  165 2 2
  166 1 1
  167 6 6
  168 2 2
  169 426 426
  170 70 70
  171 40 40
  172 6 6
  173 20 20
  174 4 4
  175 18 18
  176 4 4
  177 19 19
  178 3 3
  179 2 2
  181 8 8
  182 2 2
  183 28 28
  184 5 5
  185 9 9
  186 2 2
  187 6 6
  188 2 2
  189 103 103
  190 27 27
  191 137 137
  192 26 26
  193 14 14
  194 2 2
  195 1 1
  197 2 2
  198 1 1
  199 11 11
  200 2 2
  201 9 9
  202 5 5
  203 30 30
  204 71 71
  205 56 56
  206 15 15
  207 15 15
  208 3 3
  209 2 2
  211 1 1
  213 1 1
  215 24 24
  216 7 7
  217 617 617
  218 166 166
  219 79 79
  220 14 14
  221 30 30
  222 7 7
  223 4 4
  224 1 1
  225 1 1
  227 7 7
  228 3 3
  229 37 37
  230 40 40
  231 36 36
  232 11 11
  233 14 14
  234 4 4
  235 2 2
  239 2 2
  240 1 1
  241 11 11
  242 4 4
  243 144 144
  244 42 42
  245 45 45
  246 12 12
  247 14 14
  248 3 3
  249 1 1
  255 6 6
  256 4 4
  257 45 45
  258 11 11
  259 18 18
  260 4 4
  261 2 2
  262 1 1
  263 3 3
  264 1 1
  265 4 4
  266 1 1
  271 208 208
  272 54 54
  273 35 35
  274 7 7
  275 4 4
  276 1 1
  277 3 3
  278 2 2
  279 1 1
  287 1 1
  288 1 1
  289 4 4
  290 1 1
  291 19 19
  292 6 6
  293 7 7
  294 1 1
  295 1 1
  303 4 4
  304 3 3
  305 16 16
  306 8 8
  307 4 4
  308 1 1
  317 7 7
  318 3 3
  319 47 47
  320 23 23
  321 10 10
  322 3 3
  323 1 1
  331 16 16
  332 11 11
  333 6 6
  334 2 2
  335 1 1
  345 2 2
  346 4 4
  347 2 2
  348 2 2
  361 79 79
  362 63 63
  363 33 33
  364 11 11
  365 3 3
  366 1 1
  437 12 12
  438 61 61
  439 24 24
  440 13 13
  441 3 3
  442 1 1
  450 1 1
  451 17 17
  452 17 17
  453 8 8
  454 3 3
  455 1 1
  464 1 1
//