MassBank Record: PR010076



 alpha-Lactose; GC-EI-TOF; MS; 8 TMS; 1 MEOX; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010076
RECORD_TITLE: alpha-Lactose; GC-EI-TOF; MS; 8 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$NAME: alpha-Lactose CH$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$LINK: CAS 5989-81-1 CH$LINK: NIKKAJI J259.376I
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$CHROMATOGRAPHY: RETENTION_INDEX 2669.6 AC$CHROMATOGRAPHY: RETENTION_TIME 596.822 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C37H89NO11Si8 MS$FOCUSED_ION: DERIVATIVE_MASS 947.45897 MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS; 1 MEOX MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9741000000-a61bf0223a1683f0402e PK$NUM_PEAK: 205 PK$PEAK: m/z int. rel.int. 60 3 3 61 5 5 65 1 1 66 5 5 67 5 5 69 14 14 70 4 4 71 3 3 72 11 11 73 999 999 74 84 84 75 63 63 76 5 5 77 7 7 79 1 1 80 1 1 81 11 11 82 3 3 83 3 3 84 2 2 85 4 4 86 2 2 87 4 4 88 2 2 89 47 47 90 4 4 91 2 2 95 1 1 97 8 8 98 1 1 99 4 4 100 9 9 101 13 13 102 8 8 103 110 110 104 11 11 105 19 19 106 2 2 107 1 1 109 3 3 110 1 1 111 3 3 112 1 1 113 6 6 114 5 5 115 6 6 116 6 6 117 78 78 118 8 8 119 6 6 125 1 1 126 1 1 127 4 4 128 3 3 129 97 97 130 15 15 131 20 20 132 3 3 133 41 41 134 5 5 135 3 3 139 1 1 140 1 1 141 3 3 142 4 4 143 25 25 144 3 3 145 7 7 146 1 1 147 224 224 148 34 34 149 24 24 150 2 2 151 1 1 152 1 1 153 2 2 154 1 1 155 15 15 156 3 3 157 18 18 158 4 4 159 3 3 160 37 37 161 7 7 162 2 2 163 7 7 164 1 1 167 1 1 168 2 2 169 61 61 170 9 9 171 5 5 172 2 2 173 4 4 174 1 1 175 3 3 177 3 3 180 1 1 181 1 1 183 2 2 185 1 1 186 2 2 187 1 1 189 19 19 190 4 4 191 38 38 192 7 7 193 3 3 195 1 1 196 1 1 197 1 1 198 1 1 199 1 1 200 1 1 201 2 2 202 1 1 203 7 7 204 214 214 205 84 84 206 26 26 207 8 8 208 1 1 210 4 4 211 1 1 215 3 3 216 4 4 217 110 110 218 26 26 219 11 11 220 2 2 221 6 6 222 1 1 223 1 1 227 1 1 228 1 1 229 8 8 230 4 4 231 10 10 232 3 3 233 7 7 234 2 2 235 1 1 240 1 1 241 2 2 242 1 1 243 19 19 244 6 6 245 5 5 246 2 2 247 4 4 248 1 1 255 1 1 256 1 1 257 2 2 258 1 1 259 5 5 260 1 1 261 1 1 262 1 1 263 1 1 265 1 1 268 1 1 269 2 2 270 1 1 271 19 19 272 5 5 273 2 2 274 1 1 275 1 1 276 1 1 291 3 3 292 1 1 300 4 4 301 1 1 304 1 1 305 5 5 306 2 2 307 1 1 317 1 1 318 2 2 319 40 40 320 12 12 321 6 6 322 1 1 331 7 7 332 4 4 333 2 2 345 1 1 359 3 3 360 4 4 361 80 80 362 26 26 363 13 13 364 3 3 365 1 1 390 1 1 409 2 2 410 1 1 451 3 3 452 1 1 479 1 1 480 4 4 481 2 2 482 1 1 598 1 1 //