ACCESSION: MSBNK-Osaka_Univ-OUF00211
RECORD_TITLE: D-Ribulose; GC-EI-TOF; MS; n TMS; RT:628.067 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: D-Ribulose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₁₀O₅
CH$EXACT_MASS: 150.05282
CH$SMILES: OCC(O)(O1)C(O)C(O)C1
CH$IUPAC: InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5?/m1/s1
CH$LINK: CAS 488-84-6
CH$LINK: CHEMSPIDER 71354
CH$LINK: PUBCHEM 79021
CH$LINK: INCHIKEY LQXVFWRQNMEDEE-ZZKAVYKESA-N
CH$LINK: COMPTOX DTXSID70964120

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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1657.832
AC$CHROMATOGRAPHY: RETENTION_TIME 628.067 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0002-1920000000-d0c8027f0d2de736e8e8
PK$NUM_PEAK: 150
PK$PEAK: m/z int. rel.int.
  85 36 36
  86 18 18
  87 30 30
  88 22 22
  89 381 381
  90 36 36
  91 14 14
  96 1 1
  98 8 8
  99 13 13
  100 41 41
  101 90 90
  102 25 25
  103 450 450
  104 50 50
  105 55 55
  106 2 2
  107 1 1
  111 3 3
  112 3 3
  113 19 19
  114 161 161
  115 55 55
  116 38 38
  117 527 527
  118 62 62
  119 57 57
  120 3 3
  121 2 2
  126 40 40
  127 5 5
  128 17 17
  129 72 72
  130 21 21
  131 80 80
  132 14 14
  133 200 200
  134 32 32
  135 18 18
  140 3 3
  141 4 4
  142 77 77
  143 32 32
  144 9 9
  145 4 4
  147 999 999
  148 166 166
  149 101 101
  150 8 8
  151 2 2
  152 3 3
  154 18 18
  155 2 2
  156 7 7
  157 9 9
  158 12 12
  159 3 3
  160 5 5
  161 1 1
  163 38 38
  164 5 5
  165 4 4
  166 1 1
  167 1 1
  168 10 10
  169 2 2
  170 4 4
  172 34 34
  173 345 345
  174 72 72
  175 30 30
  176 5 5
  177 10 10
  178 3 3
  179 2 2
  180 1 1
  182 2 2
  184 2 2
  185 3 3
  186 7 7
  188 4 4
  189 51 51
  190 7 7
  191 23 23
  192 3 3
  193 2 2
  195 1 1
  198 14 14
  200 3 3
  201 32 32
  202 28 28
  203 13 13
  204 42 42
  205 390 390
  206 81 81
  207 41 41
  208 1 1
  214 10 10
  215 3 3
  216 12 12
  217 65 65
  218 19 19
  219 8 8
  220 1 1
  221 10 10
  222 2 2
  228 7 7
  230 1 1
  231 9 9
  232 13 13
  233 4 4
  241 1 1
  242 5 5
  244 2 2
  256 3 3
  262 19 19
  263 171 171
  264 44 44
  265 17 17
  266 1 1
  272 1 1
  279 1 1
  287 1 1
  288 15 15
  289 3 3
  291 1 1
  297 1 1
  302 1 1
  306 1 1
  307 3 3
  308 2 2
  333 5 5
  334 2 2
  337 2 2
  349 2 2
  355 1 1
  362 2 2
  364 9 9
  365 2 2
  369 1 1
  374 1 1
  389 1 1
  390 1 1
  448 1 1
  452 1 1
  465 1 1
  467 1 1
  476 1 1
  477 1 1
  481 1 1
//