ACCESSION: MSBNK-Kazusa-KZ000200
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_P000160

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 1819.4
AC$CHROMATOGRAPHY: RETENTION_TIME 845.462 sec

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

PK$SPLASH: splash10-0fr2-1920000000-b6be17dc79a948dfe5fa
PK$NUM_PEAK: 204
PK$PEAK: m/z int. rel.int.
  82 12 12
  83 50 50
  84 12 12
  85 21 21
  86 14 14
  87 28 28
  88 21 21
  89 355 355
  90 32 32
  91 17 17
  92 1 1
  94 2 2
  95 1 1
  96 10 10
  97 17 17
  98 5 5
  99 20 20
  100 59 59
  101 87 87
  102 39 39
  103 693 693
  104 72 72
  105 87 87
  106 11 11
  107 3 3
  108 1 1
  109 1 1
  110 2 2
  111 12 12
  112 5 5
  113 18 18
  114 19 19
  115 28 28
  116 27 27
  117 334 334
  118 36 36
  119 40 40
  120 4 4
  121 2 2
  124 1 1
  125 3 3
  126 6 6
  127 14 14
  128 8 8
  129 348 348
  130 62 62
  131 106 106
  132 18 18
  133 270 270
  134 35 35
  135 21 21
  136 2 2
  137 1 1
  138 2 2
  139 1 1
  140 2 2
  141 6 6
  142 9 9
  143 40 40
  144 6 6
  145 12 12
  146 4 4
  147 999 999
  148 162 162
  149 99 99
  150 11 11
  151 5 5
  152 2 2
  153 1 1
  154 5 5
  155 3 3
  156 3 3
  157 202 202
  158 34 34
  159 20 20
  160 408 408
  161 79 79
  162 21 21
  163 30 30
  164 4 4
  165 2 2
  166 1 1
  168 3 3
  169 12 12
  170 4 4
  171 4 4
  172 13 13
  173 11 11
  174 5 5
  175 15 15
  176 3 3
  177 17 17
  178 4 4
  179 2 2
  180 2 2
  181 1 1
  182 4 4
  183 1 1
  184 1 1
  185 2 2
  186 7 7
  187 6 6
  188 5 5
  189 70 70
  190 21 21
  191 32 32
  192 6 6
  193 3 3
  194 1 1
  196 3 3
  197 1 1
  198 1 1
  199 1 1
  200 5 5
  201 32 32
  202 8 8
  203 14 14
  204 77 77
  205 493 493
  206 101 101
  207 52 52
  208 8 8
  209 2 2
  210 2 2
  211 1 1
  214 12 12
  215 5 5
  216 6 6
  217 213 213
  218 46 46
  219 22 22
  220 4 4
  221 15 15
  222 4 4
  223 2 2
  224 1 1
  226 1 1
  227 1 1
  228 2 2
  229 56 56
  230 19 19
  231 19 19
  232 6 6
  233 24 24
  234 9 9
  235 12 12
  236 2 2
  237 2 2
  240 1 1
  241 1 1
  242 4 4
  243 6 6
  244 4 4
  245 6 6
  246 5 5
  247 3 3
  248 2 2
  249 1 1
  256 1 1
  259 2 2
  260 2 2
  261 1 1
  262 2 2
  263 1 1
  265 1 1
  268 6 6
  269 2 2
  270 2 2
  273 4 4
  274 5 5
  275 2 2
  276 1 1
  277 14 14
  278 5 5
  279 2 2
  290 1 1
  291 17 17
  292 5 5
  293 2 2
  300 2 2
  301 1 1
  302 1 1
  304 1 1
  305 10 10
  306 4 4
  307 11 11
  308 3 3
  309 1 1
  318 17 17
  319 275 275
  320 88 88
  321 41 41
  322 8 8
  323 2 2
  328 1 1
  331 1 1
  333 1 1
  337 3 3
  338 1 1
  342 1 1
  344 1 1
  365 1 1
  374 1 1
  376 1 1
//