ACCESSION: MSBNK-Kazusa-KZ000198
RECORD_TITLE: D-(+)-Mannose; GC-EI-TOF; MS; 5 TMS; BP:147
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_01474_P000158

CH$NAME: D-(+)-Mannose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₂O₆
CH$EXACT_MASS: 180.06339
CH$SMILES: OCC(O1)C(O)C(O)C(O)C(O)1
CH$IUPAC: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
CH$LINK: CAS 3458-28-4
CH$LINK: KEGG C00159
CH$LINK: INCHIKEY WQZGKKKJIJFFOK-QTVWNMPRSA-N
CH$LINK: COMPTOX DTXSID5040463

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 1811.7
AC$CHROMATOGRAPHY: RETENTION_TIME 842.162 sec

MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0mi2-0931000000-96f0cf3c2d4a8bea25b9
PK$NUM_PEAK: 225
PK$PEAK: m/z int. rel.int.
  82 15 15
  83 47 47
  85 14 14
  86 35 35
  87 25 25
  88 25 25
  89 284 284
  90 24 24
  91 13 13
  95 1 1
  96 4 4
  97 10 10
  98 4 4
  99 18 18
  100 59 59
  101 70 70
  102 45 45
  103 532 532
  104 65 65
  105 145 145
  106 24 24
  107 6 6
  108 3 3
  109 1 1
  110 5 5
  111 11 11
  112 9 9
  113 21 21
  114 57 57
  115 35 35
  116 26 26
  117 348 348
  118 49 49
  119 43 43
  120 3 3
  121 2 2
  125 2 2
  126 4 4
  127 17 17
  128 17 17
  129 369 369
  130 87 87
  131 101 101
  132 14 14
  133 207 207
  134 33 33
  135 24 24
  136 3 3
  138 2 2
  139 1 1
  140 4 4
  141 11 11
  142 13 13
  143 51 51
  144 10 10
  145 15 15
  146 10 10
  147 999 999
  148 186 186
  149 120 120
  150 17 17
  151 6 6
  152 2 2
  153 2 2
  155 5 5
  156 4 4
  157 248 248
  158 55 55
  159 21 21
  160 533 533
  161 117 117
  162 32 32
  163 36 36
  164 5 5
  165 3 3
  167 1 1
  168 5 5
  169 10 10
  170 2 2
  171 1 1
  172 8 8
  173 14 14
  174 10 10
  175 20 20
  176 4 4
  177 11 11
  178 3 3
  179 3 3
  180 3 3
  181 1 1
  182 1 1
  183 1 1
  185 4 4
  186 8 8
  187 1 1
  188 4 4
  189 71 71
  190 16 16
  191 39 39
  192 8 8
  193 6 6
  194 3 3
  195 1 1
  196 1 1
  197 1 1
  198 2 2
  199 1 1
  200 6 6
  202 3 3
  203 12 12
  204 75 75
  205 591 591
  206 127 127
  207 69 69
  208 12 12
  209 2 2
  210 10 10
  211 2 2
  212 1 1
  214 2 2
  215 11 11
  216 33 33
  217 281 281
  218 69 69
  219 42 42
  220 5 5
  221 14 14
  222 3 3
  223 3 3
  224 2 2
  227 1 1
  228 4 4
  229 81 81
  230 31 31
  231 38 38
  232 18 18
  233 20 20
  234 16 16
  235 5 5
  236 2 2
  240 5 5
  241 3 3
  242 2 2
  243 4 4
  244 11 11
  245 6 6
  246 9 9
  247 6 6
  248 1 1
  249 1 1
  250 1 1
  251 2 2
  253 1 1
  254 1 1
  256 6 6
  257 2 2
  259 3 3
  260 2 2
  261 1 1
  262 12 12
  263 4 4
  264 1 1
  265 4 4
  266 1 1
  267 1 1
  268 2 2
  269 11 11
  270 5 5
  272 1 1
  274 17 17
  275 5 5
  276 3 3
  277 17 17
  278 6 6
  279 3 3
  281 1 1
  284 1 1
  286 1 1
  290 2 2
  291 24 24
  292 8 8
  293 5 5
  294 1 1
  300 5 5
  301 2 2
  302 1 1
  303 1 1
  304 2 2
  305 15 15
  306 9 9
  307 14 14
  308 4 4
  309 2 2
  310 1 1
  317 1 1
  318 8 8
  319 358 358
  320 145 145
  321 73 73
  322 18 18
  323 2 2
  328 1 1
  330 3 3
  331 1 1
  332 1 1
  333 1 1
  334 1 1
  335 1 1
  336 1 1
  340 1 1
  343 4 4
  344 1 1
  346 1 1
  358 3 3
  364 5 5
  365 7 7
  366 1 1
  375 1 1
  376 1 1
  433 1 1
  434 1 1
  464 2 2
  465 1 1
  466 1 1
  467 1 1
//