ACCESSION: MSBNK-RIKEN-PR010077
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$CHROMATOGRAPHY: RETENTION_INDEX 2687.7
AC$CHROMATOGRAPHY: RETENTION_TIME 599.528 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$SPLASH: splash10-00di-9641000000-12611bfab50cb066e8af
PK$NUM_PEAK: 170
PK$PEAK: m/z int. rel.int.
  60 2 2
  61 4 4
  66 4 4
  67 3 3
  69 13 13
  70 3 3
  71 2 2
  72 9 9
  73 999 999
  74 81 81
  75 64 64
  76 4 4
  77 6 6
  79 1 1
  81 11 11
  82 1 1
  83 2 2
  84 1 1
  85 4 4
  86 1 1
  87 3 3
  88 2 2
  89 43 43
  90 3 3
  91 2 2
  97 7 7
  98 1 1
  99 3 3
  100 9 9
  101 10 10
  102 6 6
  103 130 130
  104 13 13
  105 12 12
  106 2 2
  109 3 3
  111 2 2
  113 4 4
  114 2 2
  115 5 5
  116 5 5
  117 68 68
  118 6 6
  119 6 6
  126 1 1
  127 3 3
  128 2 2
  129 93 93
  130 13 13
  131 18 18
  132 3 3
  133 35 35
  134 4 4
  135 3 3
  139 1 1
  141 3 3
  142 3 3
  143 23 23
  144 3 3
  145 5 5
  146 1 1
  147 187 187
  148 30 30
  149 21 21
  150 2 2
  151 1 1
  153 2 2
  154 1 1
  155 13 13
  156 3 3
  157 15 15
  158 2 2
  159 3 3
  160 24 24
  161 6 6
  162 1 1
  163 6 6
  164 1 1
  167 1 1
  168 1 1
  169 55 55
  170 9 9
  171 6 6
  172 2 2
  173 4 4
  174 1 1
  175 2 2
  177 3 3
  178 1 1
  183 2 2
  185 1 1
  186 2 2
  187 1 1
  188 1 1
  189 18 18
  190 4 4
  191 32 32
  192 6 6
  193 3 3
  196 1 1
  199 1 1
  201 2 2
  203 6 6
  204 222 222
  205 80 80
  206 26 26
  207 9 9
  208 1 1
  210 1 1
  215 2 2
  216 1 1
  217 98 98
  218 23 23
  219 11 11
  220 2 2
  221 5 5
  222 1 1
  227 1 1
  228 1 1
  229 7 7
  230 4 4
  231 7 7
  232 2 2
  233 10 10
  234 2 2
  235 2 2
  241 1 1
  242 1 1
  243 18 18
  244 4 4
  245 4 4
  246 2 2
  247 3 3
  257 1 1
  259 3 3
  260 1 1
  268 2 2
  269 1 1
  270 1 1
  271 16 16
  272 4 4
  273 4 4
  274 1 1
  275 1 1
  291 2 2
  300 4 4
  301 1 1
  305 4 4
  306 1 1
  307 1 1
  317 1 1
  318 1 1
  319 28 28
  320 8 8
  321 3 3
  331 5 5
  332 3 3
  333 1 1
  359 1 1
  360 3 3
  361 59 59
  362 19 19
  363 9 9
  364 2 2
  390 2 2
  409 1 1
  451 2 2
  452 1 1
  598 1 1
  599 1 1
//