ACCESSION: MSBNK-RIKEN-PR010047
RECORD_TITLE: D-(+)-Mannose; GC-EI-TOF; MS; 5 TMS; 1 MEOX; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: D-(+)-Mannose
CH$NAME: D-Mannose
CH$NAME: Seminose
CH$NAME: Mannose
CH$NAME: Carubinose
CH$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: CHEBI 16024
CH$LINK: KEGG C00159
CH$LINK: PUBCHEM 3459
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$CHROMATOGRAPHY: RETENTION_INDEX 1887.9
AC$CHROMATOGRAPHY: RETENTION_TIME 460.717 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C22H55NO6Si5
MS$FOCUSED_ION: DERIVATIVE_MASS 569.28757
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS; 1 MEOX
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9621000000-34b421fd962840bfbaec
PK$NUM_PEAK: 137
PK$PEAK: m/z int. rel.int.
  60 4 4
  61 5 5
  66 4 4
  67 2 2
  69 1 1
  70 3 3
  71 3 3
  72 14 14
  73 999 999
  74 82 82
  75 52 52
  76 3 3
  77 3 3
  81 1 1
  82 2 2
  83 12 12
  84 2 2
  85 3 3
  86 1 1
  87 4 4
  88 3 3
  89 55 55
  90 5 5
  91 2 2
  96 2 2
  97 3 3
  98 1 1
  99 3 3
  100 12 12
  101 12 12
  102 7 7
  103 132 132
  104 13 13
  105 15 15
  106 2 2
  111 1 1
  113 2 2
  114 4 4
  115 4 4
  116 4 4
  117 60 60
  118 6 6
  119 7 7
  126 1 1
  127 2 2
  128 2 2
  129 77 77
  130 12 12
  131 20 20
  132 3 3
  133 55 55
  134 7 7
  135 4 4
  141 1 1
  142 1 1
  143 8 8
  144 1 1
  145 2 2
  146 1 1
  147 198 198
  148 32 32
  149 19 19
  150 2 2
  151 1 1
  154 1 1
  157 55 55
  158 8 8
  159 4 4
  160 90 90
  161 18 18
  162 4 4
  163 6 6
  164 1 1
  169 2 2
  172 2 2
  173 2 2
  174 1 1
  175 3 3
  176 1 1
  177 4 4
  178 1 1
  182 1 1
  186 2 2
  187 1 1
  188 1 1
  189 14 14
  190 4 4
  191 7 7
  192 1 1
  200 1 1
  201 5 5
  202 1 1
  203 3 3
  204 15 15
  205 127 127
  206 25 25
  207 13 13
  208 1 1
  210 1 1
  214 3 3
  215 1 1
  216 1 1
  217 49 49
  218 10 10
  219 4 4
  220 1 1
  221 3 3
  222 1 1
  229 15 15
  230 4 4
  231 3 3
  232 1 1
  233 8 8
  234 3 3
  235 3 3
  242 1 1
  243 1 1
  244 1 1
  245 1 1
  246 1 1
  247 1 1
  268 2 2
  273 1 1
  274 1 1
  277 3 3
  278 1 1
  291 4 4
  292 1 1
  300 1 1
  305 2 2
  306 1 1
  307 2 2
  318 2 2
  319 94 94
  320 29 29
  321 14 14
  322 3 3
//