MassBank Record: KZ000081



 alpha-Lactose; GC-EI-TOF; MS; 8 TMS; BP:204 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000081
RECORD_TITLE: alpha-Lactose; GC-EI-TOF; MS; 8 TMS; BP:204
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_01699_P000156

CH$NAME: alpha-Lactose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C12H22O11 CH$EXACT_MASS: 342.11621 CH$SMILES: OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]([C@@H](CO)2)[C@H](O)[C@@H](O)[C@@H](O)O2 CH$IUPAC: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 CH$LINK: CAS 63-42-3 CH$LINK: KEGG C00243 CH$LINK: INCHIKEY GUBGYTABKSRVRQ-XLOQQCSPSA-N CH$LINK: COMPTOX DTXSID50873004
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 2526.8 AC$CHROMATOGRAPHY: RETENTION_TIME 1112.81 sec
MS$FOCUSED_ION: BASE_PEAK 204 MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0uxs-0972000000-af8ca1bf1faa3d01a08d PK$NUM_PEAK: 296 PK$PEAK: m/z int. rel.int. 82 9 9 83 9 9 84 13 13 85 15 15 86 10 10 87 14 14 88 11 11 89 187 187 90 17 17 91 9 9 92 1 1 93 1 1 94 2 2 95 3 3 96 2 2 97 20 20 98 4 4 99 14 14 100 30 30 101 50 50 102 26 26 103 364 364 104 37 37 105 61 61 106 7 7 107 3 3 108 1 1 109 10 10 110 3 3 111 10 10 112 3 3 113 18 18 114 19 19 115 20 20 116 22 22 117 234 234 118 25 25 119 19 19 120 2 2 121 1 1 123 1 1 124 1 1 125 3 3 126 3 3 127 13 13 128 9 9 129 292 292 130 47 47 131 65 65 132 12 12 133 119 119 134 17 17 135 11 11 136 1 1 137 1 1 138 2 2 139 5 5 140 3 3 141 12 12 142 16 16 143 85 85 144 14 14 145 27 27 146 5 5 147 808 808 148 132 132 149 87 87 150 11 11 151 6 6 152 3 3 153 8 8 154 5 5 155 47 47 156 12 12 157 58 58 158 14 14 159 11 11 160 135 135 161 28 28 162 9 9 163 24 24 164 5 5 165 3 3 166 2 2 167 4 4 168 6 6 169 174 174 170 28 28 171 16 16 172 8 8 173 14 14 174 6 6 175 9 9 176 2 2 177 8 8 178 2 2 179 2 2 180 3 3 181 3 3 182 2 2 183 6 6 184 2 2 185 5 5 186 6 6 187 5 5 188 3 3 189 58 58 190 18 18 191 118 118 192 22 22 193 11 11 194 2 2 195 3 3 196 4 4 197 3 3 198 4 4 199 6 6 200 4 4 201 10 10 202 5 5 203 30 30 204 999 999 205 403 403 206 129 129 207 39 39 208 7 7 209 2 2 210 19 19 211 5 5 212 3 3 213 2 2 214 3 3 215 17 17 216 22 22 217 527 527 218 133 133 219 56 56 220 11 11 221 26 26 222 6 6 223 5 5 224 1 1 225 1 1 226 1 1 227 7 7 228 5 5 229 37 37 230 24 24 231 49 49 232 17 17 233 29 29 234 9 9 235 4 4 236 1 1 237 1 1 238 1 1 239 1 1 240 4 4 241 10 10 242 7 7 243 82 82 244 28 28 245 27 27 246 12 12 247 16 16 248 4 4 249 2 2 250 1 1 253 1 1 254 3 3 255 4 4 256 8 8 257 9 9 258 4 4 259 21 21 260 7 7 261 4 4 262 7 7 263 4 4 264 1 1 265 4 4 266 1 1 267 1 1 268 7 7 269 10 10 270 8 8 271 73 73 272 20 20 273 11 11 274 5 5 275 4 4 276 5 5 277 3 3 278 2 2 279 2 2 283 1 1 284 1 1 285 1 1 286 2 2 287 2 2 288 1 1 289 2 2 290 1 1 291 13 13 292 4 4 293 3 3 294 1 1 297 1 1 299 1 1 300 17 17 301 5 5 302 3 3 303 3 3 304 5 5 305 24 24 306 10 10 307 7 7 308 2 2 309 1 1 313 1 1 314 1 1 315 1 1 316 2 2 317 8 8 318 9 9 319 136 136 320 51 51 321 24 24 322 6 6 323 2 2 328 1 1 329 1 1 330 2 2 331 27 27 332 20 20 333 11 11 334 4 4 335 2 2 336 1 1 337 2 2 338 1 1 342 1 1 343 3 3 344 3 3 345 6 6 346 3 3 347 2 2 348 1 1 358 4 4 359 14 14 360 17 17 361 383 383 362 132 132 363 63 63 364 15 15 365 4 4 366 1 1 373 1 1 374 3 3 375 1 1 376 2 2 377 2 2 378 1 1 379 1 1 389 1 1 390 5 5 391 2 2 392 1 1 393 1 1 408 1 1 409 5 5 410 2 2 411 1 1 421 1 1 422 1 1 423 1 1 427 1 1 428 1 1 435 1 1 436 1 1 448 1 1 449 2 2 450 3 3 451 12 12 452 5 5 453 3 3 454 1 1 464 3 3 465 2 2 466 1 1 467 1 1 479 4 4 480 21 21 481 11 11 482 6 6 483 2 2 //

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