ACCESSION: MSBNK-Kazusa-KZ000128
RECORD_TITLE: D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:361
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_04929_P000048

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$LINK: CAS 99-20-7
CH$LINK: KEGG C01083
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 2400.27 sec

MS$FOCUSED_ION: BASE_PEAK 361
MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0j4m-0943000000-07c11d483e4278dc639a
PK$NUM_PEAK: 254
PK$PEAK: m/z int. rel.int.
  82 3 3
  83 8 8
  85 12 12
  86 1 1
  87 9 9
  88 2 2
  89 26 26
  90 2 2
  91 1 1
  95 2 2
  97 7 7
  98 2 2
  99 12 12
  100 2 2
  101 38 38
  102 9 9
  103 509 509
  104 48 48
  105 20 20
  106 1 1
  107 1 1
  109 22 22
  110 2 2
  111 9 9
  112 2 2
  113 25 25
  114 7 7
  115 14 14
  116 21 21
  117 126 126
  118 15 15
  119 14 14
  120 2 2
  121 1 1
  123 1 1
  125 3 3
  126 2 2
  127 14 14
  128 5 5
  129 381 381
  130 48 48
  131 74 74
  132 12 12
  133 84 84
  134 13 13
  135 10 10
  136 1 1
  137 1 1
  138 1 1
  139 11 11
  140 3 3
  141 15 15
  142 16 16
  143 73 73
  144 11 11
  145 23 23
  146 5 5
  147 743 743
  148 111 111
  149 80 80
  150 10 10
  151 6 6
  152 1 1
  153 12 12
  154 4 4
  155 66 66
  156 13 13
  157 57 57
  158 9 9
  159 11 11
  160 2 2
  161 8 8
  162 2 2
  163 13 13
  164 3 3
  165 1 1
  166 1 1
  167 4 4
  168 2 2
  169 264 264
  170 44 44
  171 25 25
  172 4 4
  173 16 16
  174 4 4
  175 11 11
  176 3 3
  177 12 12
  178 3 3
  179 2 2
  180 1 1
  181 6 6
  182 2 2
  183 20 20
  184 4 4
  185 6 6
  186 2 2
  187 8 8
  188 2 2
  189 115 115
  190 28 28
  191 730 730
  192 128 128
  193 57 57
  194 7 7
  195 3 3
  196 1 1
  197 2 2
  198 1 1
  199 13 13
  200 3 3
  201 8 8
  202 6 6
  203 41 41
  204 284 284
  205 126 126
  206 39 39
  207 23 23
  208 5 5
  209 3 3
  210 1 1
  211 2 2
  212 1 1
  213 2 2
  214 1 1
  215 18 18
  216 7 7
  217 575 575
  218 136 136
  219 64 64
  220 12 12
  221 35 35
  222 9 9
  223 5 5
  224 1 1
  225 1 1
  227 14 14
  228 6 6
  229 51 51
  230 27 27
  231 43 43
  232 12 12
  233 28 28
  234 10 10
  235 4 4
  236 1 1
  237 1 1
  239 2 2
  240 1 1
  241 19 19
  242 8 8
  243 181 181
  244 55 55
  245 50 50
  246 12 12
  247 14 14
  248 3 3
  249 2 2
  250 1 1
  253 1 1
  254 1 1
  255 8 8
  256 4 4
  257 20 20
  258 6 6
  259 19 19
  260 5 5
  261 3 3
  262 1 1
  263 18 18
  264 4 4
  265 10 10
  266 3 3
  267 1 1
  269 1 1
  270 3 3
  271 184 184
  272 48 48
  273 28 28
  274 5 5
  275 3 3
  276 1 1
  277 2 2
  278 3 3
  279 7 7
  280 2 2
  281 1 1
  285 1 1
  287 4 4
  288 2 2
  289 4 4
  290 7 7
  291 26 26
  292 9 9
  293 5 5
  294 1 1
  295 1 1
  303 2 2
  304 6 6
  305 26 26
  306 13 13
  307 7 7
  308 2 2
  309 1 1
  313 1 1
  315 1 1
  316 1 1
  317 10 10
  318 11 11
  319 55 55
  320 28 28
  321 12 12
  322 4 4
  323 2 2
  324 1 1
  330 5 5
  331 44 44
  332 33 33
  333 15 15
  334 6 6
  335 2 2
  336 1 1
  344 1 1
  345 5 5
  346 3 3
  347 2 2
  348 1 1
  349 1 1
  359 1 1
  360 42 42
  361 999 999
  362 310 310
  363 143 143
  364 31 31
  365 8 8
  366 1 1
  373 1 1
  377 5 5
  378 2 2
  379 2 2
  393 1 1
  405 1 1
  407 1 1
  434 1 1
  435 11 11
  436 5 5
  437 2 2
  450 2 2
  451 10 10
  452 4 4
  453 2 2
  463 5 5
  464 2 2
  465 1 1
//