ACCESSION: MSBNK-RIKEN-PR010039
RECORD_TITLE: Sucrose; GC-EI-TOF; MS; 8 TMS; 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$NAME: Sucrose
CH$NAME: 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside
CH$NAME: Cane sugar
CH$NAME: Saccharose
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$LINK: CHEBI 17992
CH$LINK: CHEMPDB SUC
CH$LINK: KEGG C00089
CH$LINK: NIKKAJI J4.581K
CH$LINK: PUBCHEM 3389
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2614.8
AC$CHROMATOGRAPHY: RETENTION_TIME 588.625 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C36H86O11Si8
MS$FOCUSED_ION: DERIVATIVE_MASS 918.43243
MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9731000000-0d702b863a0419bd559c
PK$NUM_PEAK: 159
PK$PEAK: m/z int. rel.int.
  60 2 2
  61 5 5
  65 1 1
  66 4 4
  67 4 4
  69 11 11
  70 2 2
  71 3 3
  72 12 12
  73 999 999
  74 85 85
  75 66 66
  76 5 5
  77 7 7
  81 17 17
  82 1 1
  83 5 5
  85 5 5
  87 4 4
  88 2 2
  89 11 11
  90 1 1
  91 1 1
  95 1 1
  97 2 2
  99 5 5
  101 13 13
  102 6 6
  103 175 175
  104 16 16
  105 7 7
  109 9 9
  111 4 4
  113 7 7
  114 1 1
  115 5 5
  116 5 5
  117 36 36
  118 4 4
  119 4 4
  125 1 1
  127 4 4
  128 1 1
  129 115 115
  130 15 15
  131 24 24
  132 3 3
  133 34 34
  134 5 5
  135 3 3
  139 3 3
  140 1 1
  141 5 5
  142 5 5
  143 20 20
  144 2 2
  145 5 5
  146 1 1
  147 178 178
  148 27 27
  149 22 22
  150 2 2
  151 2 2
  153 3 3
  154 1 1
  155 15 15
  156 2 2
  157 19 19
  158 2 2
  159 3 3
  161 2 2
  163 3 3
  167 1 1
  169 91 91
  170 14 14
  171 8 8
  172 1 1
  173 3 3
  175 3 3
  177 3 3
  181 1 1
  183 5 5
  185 2 2
  187 1 1
  189 19 19
  190 4 4
  191 29 29
  192 5 5
  193 2 2
  199 3 3
  201 2 2
  202 1 1
  203 7 7
  204 17 17
  205 13 13
  206 3 3
  207 3 3
  215 6 6
  216 1 1
  217 164 164
  218 37 37
  219 17 17
  220 3 3
  221 6 6
  222 1 1
  227 2 2
  229 8 8
  230 11 11
  231 8 8
  232 2 2
  233 3 3
  241 2 2
  242 1 1
  243 30 30
  244 8 8
  245 8 8
  246 2 2
  247 2 2
  255 1 1
  257 9 9
  258 2 2
  259 3 3
  260 1 1
  271 36 36
  272 9 9
  273 5 5
  274 1 1
  291 3 3
  292 1 1
  293 1 1
  303 1 1
  305 3 3
  306 1 1
  317 1 1
  318 1 1
  319 11 11
  320 5 5
  321 2 2
  331 4 4
  332 2 2
  333 1 1
  345 1 1
  347 1 1
  360 3 3
  361 144 144
  362 47 47
  363 24 24
  364 5 5
  365 1 1
  435 1 1
  436 2 2
  437 26 26
  438 11 11
  439 6 6
  440 1 1
  450 3 3
  451 13 13
  452 5 5
  453 2 2
//