MassBank Record: PR010079



 beta-D-(+)-Glucose; GC-EI-TOF; MS; 5 TMS; 1 MEOX; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //