ACCESSION: MSBNK-RIKEN-PR010079
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$CHROMATOGRAPHY: RETENTION_INDEX 1882.4
AC$CHROMATOGRAPHY: RETENTION_TIME 459.562 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$SPLASH: splash10-00di-9721000000-6ca4df9ac892160d11c5
PK$NUM_PEAK: 150
PK$PEAK: m/z int. rel.int.
  60 5 5
  61 7 7
  66 5 5
  67 4 4
  69 1 1
  70 5 5
  71 3 3
  72 17 17
  73 999 999
  74 85 85
  75 61 61
  76 4 4
  77 5 5
  81 1 1
  82 5 5
  83 13 13
  84 3 3
  85 3 3
  86 5 5
  87 5 5
  88 4 4
  89 57 57
  90 5 5
  91 2 2
  97 2 2
  98 1 1
  99 4 4
  100 12 12
  101 16 16
  102 9 9
  103 114 114
  104 11 11
  105 26 26
  106 2 2
  107 1 1
  110 1 1
  111 2 2
  112 1 1
  113 3 3
  114 10 10
  115 7 7
  116 6 6
  117 77 77
  118 8 8
  119 8 8
  126 1 1
  127 3 3
  128 3 3
  129 95 95
  130 18 18
  131 23 23
  132 4 4
  133 52 52
  134 7 7
  135 4 4
  141 1 1
  142 4 4
  143 11 11
  144 2 2
  145 6 6
  146 1 1
  147 243 243
  148 38 38
  149 23 23
  150 2 2
  151 1 1
  155 1 1
  156 1 1
  157 65 65
  158 11 11
  159 5 5
  160 119 119
  161 21 21
  162 6 6
  163 7 7
  164 1 1
  168 1 1
  169 1 1
  170 1 1
  172 2 2
  173 3 3
  174 1 1
  175 3 3
  176 1 1
  177 3 3
  186 2 2
  187 1 1
  188 1 1
  189 22 22
  190 6 6
  191 11 11
  192 2 2
  193 1 1
  200 1 1
  201 6 6
  202 2 2
  203 3 3
  204 23 23
  205 161 161
  206 32 32
  207 16 16
  208 2 2
  210 2 2
  215 2 2
  216 6 6
  217 70 70
  218 15 15
  219 7 7
  220 1 1
  221 4 4
  222 1 1
  228 1 1
  229 18 18
  230 5 5
  231 8 8
  232 3 3
  233 5 5
  234 2 2
  235 1 1
  243 1 1
  244 2 2
  245 1 1
  246 2 2
  247 1 1
  256 1 1
  262 3 3
  263 1 1
  269 1 1
  270 1 1
  273 1 1
  274 3 3
  275 1 1
  277 3 3
  278 1 1
  291 6 6
  292 1 1
  293 1 1
  300 1 1
  305 4 4
  306 1 1
  307 3 3
  308 1 1
  318 2 2
  319 121 121
  320 36 36
  321 18 18
  322 3 3
  364 2 2
  365 1 1
  374 1 1
//