ACCESSION: MSBNK-Kazusa-KZ000126
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_04904_P000006

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 2362.12 sec

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

PK$SPLASH: splash10-00di-9832000000-b3259de2e25ea7293565
PK$NUM_PEAK: 188
PK$PEAK: m/z int. rel.int.
  39 2 2
  41 5 5
  42 2 2
  43 14 14
  44 6 6
  45 45 45
  46 3 3
  47 5 5
  52 1 1
  53 5 5
  54 6 6
  55 18 18
  56 4 4
  57 3 3
  58 4 4
  59 19 19
  60 2 2
  61 3 3
  65 1 1
  66 2 2
  67 2 2
  68 1 1
  69 20 20
  70 2 2
  71 3 3
  72 12 12
  73 999 999
  74 83 83
  75 69 69
  76 3 3
  77 3 3
  81 16 16
  82 1 1
  83 3 3
  85 4 4
  87 3 3
  88 1 1
  89 10 10
  90 1 1
  91 1 1
  97 2 2
  99 4 4
  101 13 13
  102 2 2
  103 153 153
  104 14 14
  105 6 6
  109 7 7
  111 3 3
  113 7 7
  114 2 2
  115 5 5
  116 7 7
  117 43 43
  118 4 4
  119 4 4
  125 1 1
  127 4 4
  128 1 1
  129 115 115
  130 14 14
  131 24 24
  132 4 4
  133 32 32
  134 4 4
  135 3 3
  139 3 3
  140 1 1
  141 3 3
  142 4 4
  143 19 19
  144 2 2
  145 6 6
  146 1 1
  147 202 202
  148 32 32
  149 24 24
  150 3 3
  151 2 2
  153 3 3
  154 1 1
  155 18 18
  156 3 3
  157 15 15
  158 2 2
  159 3 3
  161 2 2
  163 3 3
  167 1 1
  169 69 69
  170 11 11
  171 7 7
  172 1 1
  173 4 4
  174 1 1
  175 3 3
  177 3 3
  181 1 1
  183 5 5
  184 1 1
  185 1 1
  187 1 1
  189 30 30
  190 7 7
  191 233 233
  192 42 42
  193 19 19
  194 2 2
  199 2 2
  201 2 2
  202 1 1
  203 11 11
  204 71 71
  205 29 29
  206 9 9
  207 6 6
  208 1 1
  215 4 4
  216 2 2
  217 133 133
  218 35 35
  219 16 16
  220 3 3
  221 9 9
  222 2 2
  223 1 1
  227 3 3
  228 1 1
  229 10 10
  230 6 6
  231 10 10
  232 3 3
  233 6 6
  234 2 2
  241 3 3
  242 2 2
  243 39 39
  244 11 11
  245 10 10
  246 2 2
  247 2 2
  255 1 1
  257 4 4
  258 1 1
  259 3 3
  260 1 1
  263 3 3
  264 1 1
  265 2 2
  270 1 1
  271 37 37
  272 9 9
  273 5 5
  274 1 1
  279 2 2
  287 1 1
  289 1 1
  290 3 3
  291 6 6
  292 2 2
  293 1 1
  304 1 1
  305 5 5
  306 3 3
  307 1 1
  317 2 2
  318 2 2
  319 10 10
  320 6 6
  321 2 2
  322 1 1
  330 1 1
  331 10 10
  332 7 7
  333 3 3
  334 1 1
  345 2 2
  360 14 14
  361 251 251
  362 81 81
  363 36 36
  364 7 7
  365 2 2
  377 1 1
  435 2 2
  436 1 1
  451 2 2
  463 1 1
//