ACCESSION: MSBNK-Kazusa-KZ000199
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_P000159

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 1812.2
AC$CHROMATOGRAPHY: RETENTION_TIME 842.412 sec

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

PK$SPLASH: splash10-00kb-1931000000-ec423f92582012821c6a
PK$NUM_PEAK: 222
PK$PEAK: m/z int. rel.int.
  82 24 24
  83 38 38
  84 49 49
  85 26 26
  86 16 16
  87 30 30
  88 14 14
  89 274 274
  90 28 28
  91 13 13
  92 3 3
  93 7 7
  94 5 5
  95 3 3
  96 2 2
  97 9 9
  98 9 9
  99 26 26
  100 39 39
  101 109 109
  102 40 40
  103 427 427
  104 37 37
  105 89 89
  107 4 4
  109 2 2
  110 2 2
  111 11 11
  112 8 8
  113 19 19
  114 40 40
  115 38 38
  116 36 36
  117 333 333
  118 28 28
  119 28 28
  120 5 5
  121 2 2
  123 2 2
  124 2 2
  125 3 3
  126 11 11
  127 15 15
  128 13 13
  129 326 326
  130 50 50
  131 113 113
  132 24 24
  133 245 245
  134 28 28
  135 13 13
  136 1 1
  137 2 2
  138 2 2
  139 2 2
  140 3 3
  141 4 4
  142 19 19
  143 41 41
  144 7 7
  145 34 34
  146 1 1
  147 999 999
  148 151 151
  149 84 84
  150 6 6
  151 5 5
  152 4 4
  153 2 2
  154 7 7
  155 5 5
  156 6 6
  157 194 194
  158 29 29
  159 16 16
  160 350 350
  161 42 42
  162 15 15
  163 23 23
  164 4 4
  165 2 2
  166 2 2
  168 5 5
  169 8 8
  170 7 7
  171 5 5
  172 27 27
  173 15 15
  174 4 4
  175 11 11
  176 3 3
  177 15 15
  178 3 3
  180 2 2
  181 2 2
  182 3 3
  183 1 1
  184 3 3
  185 1 1
  186 9 9
  187 7 7
  188 2 2
  189 79 79
  190 29 29
  191 44 44
  192 8 8
  193 2 2
  196 3 3
  197 1 1
  198 2 2
  199 1 1
  200 2 2
  201 109 109
  202 23 23
  203 24 24
  204 122 122
  205 415 415
  206 89 89
  207 42 42
  208 3 3
  209 3 3
  210 8 8
  211 1 1
  212 2 2
  213 1 1
  214 6 6
  215 7 7
  216 18 18
  217 284 284
  218 53 53
  219 12 12
  220 4 4
  221 24 24
  222 6 6
  223 3 3
  225 1 1
  226 2 2
  227 1 1
  228 6 6
  229 53 53
  230 15 15
  231 30 30
  232 6 6
  233 7 7
  234 7 7
  235 1 1
  237 2 2
  238 1 1
  239 1 1
  242 3 3
  243 10 10
  244 4 4
  245 5 5
  246 10 10
  247 3 3
  248 3 3
  249 1 1
  252 1 1
  254 2 2
  255 1 1
  256 2 2
  257 1 1
  258 2 2
  259 3 3
  260 4 4
  261 2 2
  262 8 8
  263 2 2
  264 1 1
  268 5 5
  269 2 2
  270 2 2
  271 2 2
  273 1 1
  274 7 7
  275 2 2
  276 1 1
  277 9 9
  278 5 5
  279 1 1
  280 2 2
  290 1 1
  291 21 21
  292 5 5
  293 1 1
  300 2 2
  302 4 4
  303 1 1
  304 2 2
  305 18 18
  306 5 5
  307 13 13
  308 3 3
  314 1 1
  316 1 1
  317 1 1
  318 13 13
  319 308 308
  320 66 66
  321 29 29
  322 3 3
  323 3 3
  329 1 1
  331 1 1
  332 3 3
  333 3 3
  342 3 3
  343 1 1
  344 9 9
  345 5 5
  359 2 2
  360 1 1
  362 1 1
  364 9 9
  366 1 1
  374 3 3
  376 4 4
  377 1 1
  390 1 1
  432 1 1
  435 1 1
  466 1 1
//