MassBank Record: PR010039



 Sucrose; GC-EI-TOF; MS; 8 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010039
RECORD_TITLE: Sucrose; GC-EI-TOF; MS; 8 TMS; 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$NAME: Sucrose CH$NAME: 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside CH$NAME: Cane sugar CH$NAME: Saccharose 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$LINK: CHEBI 17992 CH$LINK: CHEMPDB SUC CH$LINK: KEGG C00089 CH$LINK: NIKKAJI J4.581K CH$LINK: PUBCHEM 3389
AC$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 2614.8 AC$CHROMATOGRAPHY: RETENTION_TIME 588.625 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C36H86O11Si8 MS$FOCUSED_ION: DERIVATIVE_MASS 918.43243 MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9731000000-0d702b863a0419bd559c PK$NUM_PEAK: 159 PK$PEAK: m/z int. rel.int. 60 2 2 61 5 5 65 1 1 66 4 4 67 4 4 69 11 11 70 2 2 71 3 3 72 12 12 73 999 999 74 85 85 75 66 66 76 5 5 77 7 7 81 17 17 82 1 1 83 5 5 85 5 5 87 4 4 88 2 2 89 11 11 90 1 1 91 1 1 95 1 1 97 2 2 99 5 5 101 13 13 102 6 6 103 175 175 104 16 16 105 7 7 109 9 9 111 4 4 113 7 7 114 1 1 115 5 5 116 5 5 117 36 36 118 4 4 119 4 4 125 1 1 127 4 4 128 1 1 129 115 115 130 15 15 131 24 24 132 3 3 133 34 34 134 5 5 135 3 3 139 3 3 140 1 1 141 5 5 142 5 5 143 20 20 144 2 2 145 5 5 146 1 1 147 178 178 148 27 27 149 22 22 150 2 2 151 2 2 153 3 3 154 1 1 155 15 15 156 2 2 157 19 19 158 2 2 159 3 3 161 2 2 163 3 3 167 1 1 169 91 91 170 14 14 171 8 8 172 1 1 173 3 3 175 3 3 177 3 3 181 1 1 183 5 5 185 2 2 187 1 1 189 19 19 190 4 4 191 29 29 192 5 5 193 2 2 199 3 3 201 2 2 202 1 1 203 7 7 204 17 17 205 13 13 206 3 3 207 3 3 215 6 6 216 1 1 217 164 164 218 37 37 219 17 17 220 3 3 221 6 6 222 1 1 227 2 2 229 8 8 230 11 11 231 8 8 232 2 2 233 3 3 241 2 2 242 1 1 243 30 30 244 8 8 245 8 8 246 2 2 247 2 2 255 1 1 257 9 9 258 2 2 259 3 3 260 1 1 271 36 36 272 9 9 273 5 5 274 1 1 291 3 3 292 1 1 293 1 1 303 1 1 305 3 3 306 1 1 317 1 1 318 1 1 319 11 11 320 5 5 321 2 2 331 4 4 332 2 2 333 1 1 345 1 1 347 1 1 360 3 3 361 144 144 362 47 47 363 24 24 364 5 5 365 1 1 435 1 1 436 2 2 437 26 26 438 11 11 439 6 6 440 1 1 450 3 3 451 13 13 452 5 5 453 2 2 //