ACCESSION: MSBNK-Kazusa-KZ000195
RECORD_TITLE: D-(+)-Glucose; GC-EI-TOF; MS; 5 TMS; BP:147
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_01707_P000139

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: KEGG C00031
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1851.4
AC$CHROMATOGRAPHY: RETENTION_TIME 858.163 sec

MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0fr2-1920000000-f53c5f0d5ad84d32679f
PK$NUM_PEAK: 219
PK$PEAK: m/z int. rel.int.
  82 11 11
  83 49 49
  84 25 25
  85 21 21
  86 15 15
  87 27 27
  88 22 22
  89 385 385
  90 34 34
  91 18 18
  92 2 2
  93 1 1
  94 2 2
  95 2 2
  96 10 10
  97 16 16
  98 6 6
  99 19 19
  100 57 57
  101 91 91
  102 40 40
  103 782 782
  104 82 82
  105 91 91
  106 12 12
  107 4 4
  108 1 1
  109 2 2
  110 2 2
  111 12 12
  112 5 5
  113 19 19
  114 17 17
  115 27 27
  116 31 31
  117 331 331
  118 36 36
  119 43 43
  120 5 5
  121 3 3
  122 1 1
  123 1 1
  124 1 1
  125 2 2
  126 7 7
  127 13 13
  128 9 9
  129 361 361
  130 63 63
  131 112 112
  132 17 17
  133 266 266
  134 36 36
  135 21 21
  136 2 2
  137 1 1
  138 2 2
  139 1 1
  140 2 2
  141 7 7
  142 9 9
  143 42 42
  144 7 7
  145 13 13
  146 5 5
  147 999 999
  148 160 160
  149 99 99
  150 12 12
  151 6 6
  152 3 3
  153 2 2
  154 5 5
  155 4 4
  156 5 5
  157 196 196
  158 32 32
  159 20 20
  160 337 337
  161 67 67
  162 18 18
  163 28 28
  164 5 5
  165 3 3
  166 1 1
  167 1 1
  168 3 3
  169 14 14
  170 5 5
  171 3 3
  172 17 17
  173 12 12
  174 6 6
  175 15 15
  176 3 3
  177 19 19
  178 6 6
  179 3 3
  180 3 3
  181 1 1
  182 3 3
  183 2 2
  184 2 2
  185 2 2
  186 10 10
  187 6 6
  188 5 5
  189 83 83
  190 23 23
  191 34 34
  192 6 6
  193 4 4
  194 1 1
  196 3 3
  197 1 1
  198 1 1
  199 1 1
  200 3 3
  201 37 37
  202 9 9
  203 16 16
  204 88 88
  205 446 446
  206 92 92
  207 48 48
  208 7 7
  209 2 2
  210 3 3
  211 1 1
  212 1 1
  214 12 12
  215 6 6
  216 6 6
  217 216 216
  218 46 46
  219 22 22
  220 5 5
  221 16 16
  222 4 4
  223 2 2
  224 1 1
  226 1 1
  228 2 2
  229 52 52
  230 19 19
  231 18 18
  232 6 6
  233 22 22
  234 7 7
  235 16 16
  236 3 3
  237 2 2
  238 1 1
  240 2 2
  241 1 1
  242 4 4
  243 6 6
  244 5 5
  245 5 5
  246 6 6
  247 3 3
  248 1 1
  249 1 1
  251 1 1
  252 1 1
  254 1 1
  256 1 1
  258 1 1
  259 2 2
  260 1 1
  261 1 1
  262 2 2
  263 1 1
  264 1 1
  265 2 2
  268 7 7
  269 3 3
  270 2 2
  273 4 4
  274 5 5
  275 3 3
  276 1 1
  277 13 13
  278 5 5
  279 2 2
  290 1 1
  291 17 17
  292 5 5
  293 2 2
  300 2 2
  301 1 1
  302 3 3
  303 1 1
  304 2 2
  305 12 12
  306 6 6
  307 12 12
  308 3 3
  309 1 1
  316 1 1
  317 1 1
  318 23 23
  319 252 252
  320 79 79
  321 39 39
  322 8 8
  323 2 2
  331 1 1
  332 1 1
  333 1 1
  337 3 3
  338 1 1
  342 1 1
  343 1 1
  344 1 1
  347 1 1
  365 1 1
  374 1 1
  376 2 2
//