ACCESSION: MSBNK-RIKEN-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
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$CHROMATOGRAPHY: RETENTION_INDEX 2669.6
AC$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
//