ACCESSION: MSBNK-RIKEN-PR010048
RECORD_TITLE: D-(+)-Trehalose; 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$NAME: D-(+)-Trehalose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₂H₂₂O₁₁
CH$EXACT_MASS: 342.11621
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)2
CH$IUPAC: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
CH$LINK: CAS 6138-23-4
CH$LINK: INCHIKEY HDTRYLNUVZCQOY-LIZSDCNHSA-N
CH$LINK: COMPTOX DTXSID3048102

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$CHROMATOGRAPHY: RETENTION_INDEX 2727.1
AC$CHROMATOGRAPHY: RETENTION_TIME 605.422 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$SPLASH: splash10-00di-8932000000-c327fe31b8d3e86dd97d
PK$NUM_PEAK: 164
PK$PEAK: m/z int. rel.int.
  60 2 2
  61 5 5
  65 1 1
  66 5 5
  67 4 4
  69 11 11
  70 2 2
  71 4 4
  72 12 12
  73 999 999
  74 85 85
  75 64 64
  76 5 5
  77 6 6
  81 20 20
  82 1 1
  83 4 4
  85 5 5
  87 4 4
  88 1 1
  89 12 12
  90 1 1
  91 1 1
  95 1 1
  97 2 2
  99 5 5
  101 15 15
  102 3 3
  103 176 176
  104 16 16
  105 7 7
  109 9 9
  111 4 4
  113 9 9
  114 2 2
  115 6 6
  116 8 8
  117 49 49
  118 5 5
  119 5 5
  125 1 1
  127 4 4
  128 1 1
  129 131 131
  130 16 16
  131 27 27
  132 4 4
  133 37 37
  134 5 5
  135 4 4
  139 3 3
  141 4 4
  142 4 4
  143 19 19
  144 2 2
  145 6 6
  146 1 1
  147 209 209
  148 32 32
  149 25 25
  150 3 3
  151 2 2
  153 4 4
  154 1 1
  155 20 20
  156 3 3
  157 16 16
  158 2 2
  159 3 3
  161 2 2
  163 3 3
  167 1 1
  169 85 85
  170 14 14
  171 8 8
  172 1 1
  173 5 5
  174 1 1
  175 3 3
  177 4 4
  181 1 1
  183 5 5
  185 1 1
  187 1 1
  189 25 25
  190 6 6
  191 227 227
  192 39 39
  193 18 18
  194 2 2
  199 3 3
  201 1 1
  202 1 1
  203 9 9
  204 63 63
  205 25 25
  206 8 8
  207 5 5
  208 1 1
  215 3 3
  216 1 1
  217 113 113
  218 29 29
  219 13 13
  220 2 2
  221 7 7
  222 1 1
  223 1 1
  227 2 2
  228 1 1
  229 9 9
  230 5 5
  231 8 8
  232 2 2
  233 5 5
  234 2 2
  241 3 3
  242 1 1
  243 35 35
  244 10 10
  245 9 9
  246 2 2
  247 2 2
  255 1 1
  257 4 4
  258 1 1
  259 3 3
  260 1 1
  263 3 3
  265 2 2
  271 36 36
  272 9 9
  273 5 5
  274 1 1
  279 2 2
  287 1 1
  289 1 1
  290 2 2
  291 6 6
  292 2 2
  293 1 1
  304 1 1
  305 5 5
  306 2 2
  307 1 1
  317 2 2
  318 1 1
  319 11 11
  320 4 4
  321 2 2
  331 11 11
  332 6 6
  333 3 3
  334 1 1
  345 1 1
  360 5 5
  361 166 166
  362 55 55
  363 27 27
  364 6 6
  365 1 1
  377 1 1
  435 2 2
  451 1 1
//