MassBank Record: OUF00446



 Ribitol; GC-EI-TOF; MS; n TMS; RT:649.743 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00446
RECORD_TITLE: Ribitol; GC-EI-TOF; MS; n TMS; RT:649.743 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., 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$NAME: Ribitol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H12O5 CH$EXACT_MASS: 152.06847 CH$SMILES: OCC([H])(O)C([H])(O)C([H])(O)CO CH$IUPAC: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5- CH$LINK: CAS 488-81-3 CH$LINK: CHEBI 15963 CH$LINK: CHEMSPIDER 10254628 CH$LINK: INCHIKEY HEBKCHPVOIAQTA-ZXFHETKHSA-N
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$CHROMATOGRAPHY: RETENTION_INDEX 1705.275 AC$CHROMATOGRAPHY: RETENTION_TIME 649.743 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0gba-0940000000-39c5ee90545f38856669 PK$NUM_PEAK: 163 PK$PEAK: m/z int. rel.int. 85 15 15 86 4 4 87 26 26 88 25 25 89 101 101 90 10 10 91 5 5 92 1 1 93 1 1 94 2 2 95 2 2 96 1 1 97 7 7 98 2 2 99 17 17 100 3 3 101 100 100 102 17 17 103 882 882 104 86 86 105 43 43 106 3 3 107 1 1 109 1 1 111 11 11 112 2 2 113 23 23 114 5 5 115 23 23 116 41 41 117 366 366 118 39 39 119 36 36 120 4 4 121 2 2 125 2 2 126 2 2 127 9 9 128 3 3 129 446 446 130 58 58 131 110 110 132 17 17 133 229 229 134 34 34 135 21 21 136 2 2 137 1 1 139 1 1 140 1 1 141 5 5 142 9 9 143 36 36 144 6 6 145 15 15 146 4 4 147 999 999 148 159 159 149 105 105 150 12 12 151 6 6 152 2 2 153 4 4 154 1 1 155 20 20 156 4 4 157 83 83 158 11 11 159 11 11 160 2 2 161 11 11 162 2 2 163 15 15 164 3 3 165 1 1 168 1 1 169 5 5 170 10 10 171 9 9 172 2 2 173 4 4 174 2 2 175 23 23 176 5 5 177 12 12 178 2 2 179 2 2 185 1 1 186 1 1 187 2 2 188 1 1 189 169 169 190 41 41 191 77 77 192 14 14 193 8 8 194 1 1 201 4 4 202 3 3 203 46 46 204 148 148 205 329 329 206 71 71 207 42 42 208 7 7 209 3 3 215 5 5 216 3 3 217 805 805 218 217 217 219 86 86 220 16 16 221 33 33 222 8 8 223 5 5 224 1 1 229 23 23 230 7 7 231 7 7 232 2 2 233 1 1 237 1 1 242 3 3 243 48 48 244 12 12 245 8 8 246 1 1 247 2 2 249 1 1 263 1 1 265 2 2 277 30 30 278 13 13 279 7 7 280 2 2 281 1 1 291 13 13 292 4 4 293 2 2 305 6 6 306 10 10 307 89 89 308 29 29 309 13 13 310 3 3 317 15 15 318 9 9 319 152 152 320 49 49 321 24 24 322 5 5 323 1 1 331 2 2 332 31 31 333 12 12 334 6 6 335 1 1 395 3 3 396 1 1 407 1 1 422 7 7 423 4 4 424 1 1 //