ACCESSION: MSBNK-RIKEN-PR010032
RECORD_TITLE: D-(+)-Glucose; GC-EI-TOF; MS; 5 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$NAME: D-(+)-Glucose
CH$NAME: Grape sugar
CH$NAME: Dextrose
CH$NAME: D-Glucose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₂O₆
CH$EXACT_MASS: 180.06339
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(O)1
CH$IUPAC: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
CH$LINK: CAS 50-99-7
CH$LINK: CHEBI 17634
CH$LINK: KEGG C00031
CH$LINK: NIKKAJI J4.109B
CH$LINK: PUBCHEM 3333
CH$LINK: INCHIKEY WQZGKKKJIJFFOK-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$CHROMATOGRAPHY: RETENTION_INDEX 1902.6
AC$CHROMATOGRAPHY: RETENTION_TIME 463.786 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C22H55NO6Si5
MS$FOCUSED_ION: DERIVATIVE_MASS 569.28757
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS; 1 MEOX
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9621000000-9d1d8057758d3da8caca
PK$NUM_PEAK: 132
PK$PEAK: m/z int. rel.int.
  60 4 4
  61 5 5
  66 4 4
  67 2 2
  69 2 2
  70 3 3
  71 3 3
  72 15 15
  73 999 999
  74 83 83
  75 55 55
  76 4 4
  77 3 3
  81 1 1
  82 2 2
  83 12 12
  84 2 2
  85 3 3
  86 2 2
  87 4 4
  88 3 3
  89 58 58
  90 5 5
  91 2 2
  96 2 2
  97 3 3
  98 1 1
  99 2 2
  100 13 13
  101 12 12
  102 7 7
  103 155 155
  104 15 15
  105 16 16
  106 2 2
  111 1 1
  113 3 3
  114 3 3
  115 4 4
  116 4 4
  117 60 60
  118 6 6
  119 7 7
  126 1 1
  127 2 2
  128 1 1
  129 80 80
  130 13 13
  131 20 20
  132 3 3
  133 54 54
  134 7 7
  135 4 4
  141 1 1
  142 1 1
  143 9 9
  144 1 1
  145 2 2
  146 1 1
  147 201 201
  148 32 32
  149 19 19
  150 2 2
  151 1 1
  154 1 1
  157 56 56
  158 8 8
  159 5 5
  160 81 81
  161 17 17
  162 4 4
  163 6 6
  164 1 1
  169 3 3
  172 2 2
  173 2 2
  174 1 1
  175 3 3
  177 5 5
  178 1 1
  186 2 2
  187 1 1
  188 1 1
  189 17 17
  190 5 5
  191 8 8
  192 1 1
  201 5 5
  202 1 1
  203 2 2
  204 16 16
  205 127 127
  206 25 25
  207 13 13
  208 1 1
  214 3 3
  215 1 1
  216 1 1
  217 52 52
  218 11 11
  219 5 5
  220 1 1
  221 3 3
  229 15 15
  230 4 4
  231 4 4
  232 1 1
  233 8 8
  234 2 2
  235 4 4
  242 1 1
  243 1 1
  244 1 1
  245 1 1
  246 1 1
  247 1 1
  268 1 1
  273 1 1
  274 1 1
  277 3 3
  278 1 1
  291 4 4
  292 1 1
  300 1 1
  305 3 3
  306 1 1
  307 3 3
  318 2 2
  319 94 94
  320 29 29
  321 14 14
  322 2 2
//