MassBank Record: KZ000075



 Sucrose; GC-EI-TOF; MS; 8 TMS; BP:103 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000075
RECORD_TITLE: Sucrose; GC-EI-TOF; MS; 8 TMS; BP:103
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01676_P000135

CH$NAME: Sucrose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C12H22O11 CH$EXACT_MASS: 342.11621 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H](CO)2 CH$IUPAC: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CH$LINK: CAS 57-50-1 CH$LINK: KEGG C00089 CH$LINK: INCHIKEY CZMRCDWAGMRECN-UGDNZRGBSA-N CH$LINK: COMPTOX DTXSID2021288
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 2492.5 AC$CHROMATOGRAPHY: RETENTION_TIME 1096.86 sec
MS$FOCUSED_ION: BASE_PEAK 103 MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0gba-0930000000-594ae5d59d217235e6c7 PK$NUM_PEAK: 226 PK$PEAK: m/z int. rel.int. 82 6 6 83 21 21 84 1 1 85 25 25 86 5 5 87 27 27 88 16 16 89 56 56 90 4 4 91 4 4 93 1 1 94 1 1 95 4 4 96 2 2 97 13 13 98 3 3 99 27 27 100 5 5 101 82 82 102 37 37 103 999 999 104 101 101 105 49 49 106 3 3 107 2 2 108 1 1 109 43 43 110 3 3 111 23 23 112 4 4 113 45 45 114 10 10 115 32 32 116 34 34 117 234 234 118 25 25 119 27 27 120 3 3 121 2 2 123 1 1 125 6 6 126 2 2 127 23 23 128 6 6 129 564 564 130 84 84 131 136 136 132 21 21 133 182 182 134 26 26 135 19 19 136 2 2 137 1 1 139 11 11 140 5 5 141 23 23 142 20 20 143 99 99 144 15 15 145 29 29 146 5 5 147 882 882 148 158 158 149 126 126 150 16 16 151 13 13 152 2 2 153 16 16 154 5 5 155 72 72 156 15 15 157 97 97 158 15 15 159 17 17 160 3 3 161 10 10 162 2 2 163 20 20 164 3 3 165 2 2 166 1 1 167 6 6 168 2 2 169 426 426 170 70 70 171 40 40 172 6 6 173 20 20 174 4 4 175 18 18 176 4 4 177 19 19 178 3 3 179 2 2 181 8 8 182 2 2 183 28 28 184 5 5 185 9 9 186 2 2 187 6 6 188 2 2 189 103 103 190 27 27 191 137 137 192 26 26 193 14 14 194 2 2 195 1 1 197 2 2 198 1 1 199 11 11 200 2 2 201 9 9 202 5 5 203 30 30 204 71 71 205 56 56 206 15 15 207 15 15 208 3 3 209 2 2 211 1 1 213 1 1 215 24 24 216 7 7 217 617 617 218 166 166 219 79 79 220 14 14 221 30 30 222 7 7 223 4 4 224 1 1 225 1 1 227 7 7 228 3 3 229 37 37 230 40 40 231 36 36 232 11 11 233 14 14 234 4 4 235 2 2 239 2 2 240 1 1 241 11 11 242 4 4 243 144 144 244 42 42 245 45 45 246 12 12 247 14 14 248 3 3 249 1 1 255 6 6 256 4 4 257 45 45 258 11 11 259 18 18 260 4 4 261 2 2 262 1 1 263 3 3 264 1 1 265 4 4 266 1 1 271 208 208 272 54 54 273 35 35 274 7 7 275 4 4 276 1 1 277 3 3 278 2 2 279 1 1 287 1 1 288 1 1 289 4 4 290 1 1 291 19 19 292 6 6 293 7 7 294 1 1 295 1 1 303 4 4 304 3 3 305 16 16 306 8 8 307 4 4 308 1 1 317 7 7 318 3 3 319 47 47 320 23 23 321 10 10 322 3 3 323 1 1 331 16 16 332 11 11 333 6 6 334 2 2 335 1 1 345 2 2 346 4 4 347 2 2 348 2 2 361 79 79 362 63 63 363 33 33 364 11 11 365 3 3 366 1 1 437 12 12 438 61 61 439 24 24 440 13 13 441 3 3 442 1 1 450 1 1 451 17 17 452 17 17 453 8 8 454 3 3 455 1 1 464 1 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)