ACCESSION: MSBNK-RIKEN-PR010080
RECORD_TITLE: beta-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$NAME: beta-D-(+)-Glucose
CH$NAME: beta-D-Glucose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₂O₆
CH$EXACT_MASS: 180.06339
CH$SMILES: OCC(O1)C(O)C(O)C(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 492-61-5
CH$LINK: CHEBI 15903
CH$LINK: KEGG C00221
CH$LINK: NIKKAJI J44.213E
CH$LINK: PUBCHEM 3521
CH$LINK: INCHIKEY WQZGKKKJIJFFOK-VFUOTHLCSA-N
CH$LINK: COMPTOX DTXSID70883403

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$CHROMATOGRAPHY: RETENTION_INDEX 1903.5
AC$CHROMATOGRAPHY: RETENTION_TIME 463.951 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$SPLASH: splash10-00di-9621000000-fff85ff382393ec04a54
PK$NUM_PEAK: 138
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 54 54
  76 4 4
  77 4 4
  81 1 1
  82 2 2
  83 12 12
  84 2 2
  85 3 3
  86 2 2
  87 3 3
  88 3 3
  89 57 57
  90 5 5
  91 3 3
  96 2 2
  97 3 3
  98 1 1
  99 3 3
  100 13 13
  101 12 12
  102 7 7
  103 151 151
  104 15 15
  105 15 15
  106 2 2
  111 2 2
  113 3 3
  114 3 3
  115 4 4
  116 4 4
  117 59 59
  118 6 6
  119 7 7
  126 1 1
  127 2 2
  128 1 1
  129 79 79
  130 13 13
  131 20 20
  132 3 3
  133 54 54
  134 7 7
  135 4 4
  141 1 1
  142 2 2
  143 9 9
  144 1 1
  145 2 2
  146 1 1
  147 198 198
  148 32 32
  149 19 19
  150 2 2
  151 1 1
  154 1 1
  157 54 54
  158 8 8
  159 5 5
  160 81 81
  161 16 16
  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 3 3
  187 1 1
  188 1 1
  189 17 17
  190 5 5
  191 8 8
  192 1 1
  196 1 1
  201 4 4
  202 1 1
  203 3 3
  204 16 16
  205 124 124
  206 25 25
  207 12 12
  208 2 2
  210 1 1
  214 3 3
  215 1 1
  216 1 1
  217 51 51
  218 11 11
  219 5 5
  220 1 1
  221 3 3
  222 1 1
  229 15 15
  230 4 4
  231 3 3
  232 1 1
  233 8 8
  234 2 2
  235 4 4
  236 1 1
  242 1 1
  243 1 1
  244 1 1
  245 1 1
  246 1 1
  247 1 1
  268 1 1
  269 1 1
  273 1 1
  274 1 1
  277 3 3
  278 1 1
  291 4 4
  292 1 1
  300 1 1
  305 2 2
  306 1 1
  307 3 3
  308 1 1
  318 2 2
  319 93 93
  320 29 29
  321 14 14
  322 2 2
//