MassBank Record: OUF00004



 1,6-Anhydro-beta-D-glucose; GC-EI-TOF; MS; n TMS; RT:645.412 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00004
RECORD_TITLE: 1,6-Anhydro-beta-D-glucose; GC-EI-TOF; MS; n TMS; RT:645.412 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: 1,6-Anhydroglucose CH$NAME: 1,6-Anhydro-beta-D-glucose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H10O5 CH$EXACT_MASS: 162.05282 CH$SMILES: OC(C(O)1)C(C2)OC(O2)C(O)1 CH$IUPAC: InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1 CH$LINK: CAS 498-07-7 CH$LINK: CHEMSPIDER 71361 CH$LINK: PUBCHEM 79029 CH$LINK: INCHIKEY TWNIBLMWSKIRAT-VFUOTHLCSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500 AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min) AC$CHROMATOGRAPHY: RETENTION_INDEX 1695.580 AC$CHROMATOGRAPHY: RETENTION_TIME 645.412 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0uxr-0950000000-70ad01d41ff4333eadf9 PK$NUM_PEAK: 176 PK$PEAK: m/z int. rel.int. 85 70 70 86 14 14 87 36 36 88 15 15 89 47 47 90 10 10 91 8 8 92 2 2 93 2 2 94 4 4 95 9 9 96 8 8 97 27 27 98 16 16 99 62 62 100 10 10 101 230 230 102 33 33 103 418 418 104 41 41 105 37 37 106 3 3 107 3 3 108 1 1 109 23 23 110 3 3 111 40 40 112 7 7 113 68 68 114 13 13 115 62 62 116 129 129 117 213 213 118 28 28 119 46 46 120 6 6 121 5 5 122 1 1 123 1 1 124 2 2 125 9 9 126 5 5 127 34 34 128 9 9 129 442 442 130 61 61 131 141 141 132 25 25 133 296 296 134 44 44 135 36 36 136 6 6 137 6 6 138 1 1 139 6 6 140 3 3 141 16 16 142 66 66 143 153 153 144 24 24 145 34 34 146 8 8 147 627 627 148 104 104 149 101 101 150 14 14 151 11 11 152 16 16 153 9 9 154 5 5 155 76 76 156 13 13 157 34 34 158 5 5 159 29 29 160 5 5 161 75 75 162 11 11 163 22 22 164 4 4 165 2 2 167 1 1 168 3 3 169 36 36 170 20 20 171 58 58 172 11 11 173 11 11 174 11 11 175 15 15 176 2 2 177 37 37 178 6 6 179 3 3 181 1 1 182 1 1 183 22 22 184 3 3 185 4 4 186 1 1 187 6 6 188 2 2 189 228 228 190 63 63 191 204 204 192 37 37 193 20 20 194 3 3 195 3 3 196 3 3 197 4 4 198 4 4 199 15 15 200 7 7 201 7 7 202 2 2 203 18 18 204 999 999 205 205 205 206 94 94 207 17 17 208 3 3 209 1 1 213 1 1 214 1 1 215 15 15 216 9 9 217 868 868 218 190 190 219 85 85 220 15 15 221 13 13 222 3 3 223 1 1 227 3 3 229 6 6 230 6 6 231 17 17 232 4 4 233 3 3 234 2 2 239 1 1 241 2 2 242 9 9 243 55 55 244 18 18 245 22 22 246 6 6 247 3 3 249 1 1 255 1 1 257 3 3 259 5 5 260 17 17 261 9 9 262 3 3 263 1 1 265 1 1 271 1 1 273 10 10 274 2 2 275 1 1 291 1 1 304 3 3 305 5 5 306 2 2 317 15 15 318 5 5 319 1 1 331 1 1 332 12 12 333 105 105 334 40 40 335 19 19 336 4 4 363 1 1 //