ACCESSION: MSBNK-Kazusa-KZ000124
RECORD_TITLE: D-(+)-Trehalose; GC-EI-TOF; MS; 8 TMS; BP:73
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_04501_P000206

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 2387.82 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_TYPE 8 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9511000000-b710c7c4bd86fd5f1af0
PK$NUM_PEAK: 245
PK$PEAK: m/z int. rel.int.
  36 1 1
  37 1 1
  38 2 2
  39 6 6
  40 2 2
  41 9 9
  42 8 8
  43 39 39
  44 16 16
  45 87 87
  46 6 6
  47 12 12
  48 2 2
  49 2 2
  50 1 1
  51 3 3
  52 5 5
  53 9 9
  54 7 7
  55 24 24
  56 5 5
  57 6 6
  58 10 10
  59 25 25
  60 3 3
  61 5 5
  62 1 1
  63 1 1
  64 1 1
  65 2 2
  66 6 6
  67 4 4
  68 2 2
  69 19 19
  70 4 4
  71 4 4
  72 15 15
  73 999 999
  74 84 84
  75 83 83
  76 6 6
  77 9 9
  78 2 2
  79 1 1
  80 1 1
  81 18 18
  82 3 3
  83 4 4
  84 2 2
  85 6 6
  86 1 1
  87 4 4
  88 2 2
  89 9 9
  90 2 2
  91 2 2
  92 1 1
  93 1 1
  94 1 1
  95 1 1
  96 1 1
  97 2 2
  98 2 2
  99 6 6
  100 2 2
  101 11 11
  102 2 2
  103 117 117
  104 11 11
  105 5 5
  106 1 1
  107 1 1
  108 1 1
  109 6 6
  111 4 4
  112 1 1
  113 6 6
  114 2 2
  115 5 5
  116 6 6
  117 32 32
  118 3 3
  119 4 4
  123 1 1
  125 1 1
  127 3 3
  128 1 1
  129 83 83
  130 11 11
  131 19 19
  132 4 4
  133 27 27
  134 4 4
  135 4 4
  139 3 3
  140 1 1
  141 3 3
  142 3 3
  143 12 12
  144 2 2
  145 5 5
  146 1 1
  147 141 141
  148 22 22
  149 18 18
  150 2 2
  151 2 2
  152 1 1
  153 3 3
  154 1 1
  155 13 13
  156 2 2
  157 11 11
  158 2 2
  159 2 2
  160 1 1
  161 2 2
  162 1 1
  163 2 2
  169 51 51
  170 8 8
  171 5 5
  172 1 1
  173 4 4
  174 1 1
  175 3 3
  176 1 1
  177 2 2
  179 1 1
  181 1 1
  182 1 1
  183 4 4
  184 1 1
  185 1 1
  186 1 1
  187 1 1
  189 18 18
  190 7 7
  191 143 143
  192 26 26
  193 13 13
  194 2 2
  195 2 2
  197 1 1
  199 2 2
  201 1 1
  202 2 2
  203 7 7
  204 42 42
  205 18 18
  206 6 6
  207 4 4
  208 1 1
  214 1 1
  215 3 3
  216 4 4
  217 75 75
  218 21 21
  219 9 9
  220 2 2
  221 7 7
  222 1 1
  223 1 1
  224 1 1
  227 2 2
  228 2 2
  229 6 6
  230 3 3
  231 6 6
  232 2 2
  233 3 3
  234 1 1
  235 1 1
  239 1 1
  241 3 3
  242 3 3
  243 23 23
  244 7 7
  245 6 6
  246 2 2
  247 1 1
  254 1 1
  255 1 1
  256 1 1
  257 2 2
  258 1 1
  259 2 2
  260 1 1
  263 1 1
  264 1 1
  265 1 1
  266 1 1
  269 1 1
  270 4 4
  271 19 19
  272 6 6
  273 3 3
  274 1 1
  279 1 1
  281 1 1
  287 1 1
  288 1 1
  289 1 1
  290 2 2
  291 4 4
  292 2 2
  293 1 1
  297 1 1
  304 1 1
  305 3 3
  306 2 2
  307 1 1
  317 2 2
  318 4 4
  319 7 7
  320 4 4
  321 1 1
  322 1 1
  327 1 1
  330 3 3
  331 6 6
  332 6 6
  333 3 3
  334 2 2
  341 1 1
  345 2 2
  346 1 1
  347 1 1
  348 1 1
  359 1 1
  360 43 43
  361 140 140
  362 50 50
  363 23 23
  364 5 5
  365 1 1
  376 1 1
  377 1 1
  379 1 1
  382 1 1
  397 1 1
  434 1 1
  435 1 1
  451 1 1
  462 1 1
//