ACCESSION: MSBNK-Kazusa-KZ000125
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_04505_P000178

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 2388.27 sec

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

PK$SPLASH: splash10-00di-9511000000-2e5f22e6ba282283a569
PK$NUM_PEAK: 168
PK$PEAK: m/z int. rel.int.
  38 1 1
  39 5 5
  41 8 8
  42 7 7
  43 39 39
  44 14 14
  45 91 91
  46 5 5
  47 12 12
  49 1 1
  51 2 2
  52 4 4
  53 9 9
  54 6 6
  55 21 21
  56 5 5
  57 6 6
  58 10 10
  59 26 26
  60 3 3
  61 5 5
  65 1 1
  66 6 6
  67 3 3
  68 1 1
  69 19 19
  70 3 3
  71 4 4
  72 13 13
  73 999 999
  74 85 85
  75 80 80
  76 5 5
  77 9 9
  79 1 1
  81 18 18
  82 1 1
  83 4 4
  84 1 1
  85 5 5
  87 4 4
  88 1 1
  89 10 10
  90 1 1
  91 1 1
  95 1 1
  97 2 2
  99 4 4
  101 12 12
  102 2 2
  103 115 115
  104 11 11
  105 5 5
  109 6 6
  111 3 3
  113 6 6
  114 1 1
  115 4 4
  116 6 6
  117 32 32
  118 2 2
  119 3 3
  125 1 1
  127 3 3
  129 82 82
  130 9 9
  131 18 18
  132 3 3
  133 27 27
  134 3 3
  135 2 2
  139 2 2
  141 2 2
  142 3 3
  143 11 11
  144 1 1
  145 3 3
  147 143 143
  148 23 23
  149 18 18
  150 2 2
  151 1 1
  153 2 2
  155 14 14
  156 2 2
  157 10 10
  158 1 1
  159 2 2
  161 1 1
  163 2 2
  169 46 46
  170 8 8
  171 4 4
  173 3 3
  175 2 2
  177 2 2
  183 3 3
  185 1 1
  187 1 1
  189 18 18
  190 5 5
  191 141 141
  192 25 25
  193 11 11
  194 1 1
  199 1 1
  201 1 1
  202 1 1
  203 7 7
  204 42 42
  205 16 16
  206 5 5
  207 3 3
  215 2 2
  216 3 3
  217 76 76
  218 19 19
  219 9 9
  220 1 1
  221 5 5
  222 1 1
  227 2 2
  229 5 5
  230 3 3
  231 5 5
  232 1 1
  233 3 3
  234 1 1
  241 2 2
  242 2 2
  243 21 21
  244 6 6
  245 5 5
  246 1 1
  247 1 1
  255 1 1
  257 2 2
  259 1 1
  263 1 1
  265 1 1
  270 2 2
  271 19 19
  272 5 5
  273 3 3
  279 1 1
  290 2 2
  291 3 3
  292 1 1
  304 1 1
  305 3 3
  306 1 1
  317 1 1
  318 2 2
  319 5 5
  320 3 3
  321 1 1
  330 2 2
  331 5 5
  332 5 5
  333 2 2
  345 1 1
  360 30 30
  361 136 136
  362 41 41
  363 19 19
  364 3 3
  365 1 1
  377 1 1
//