MassBank Record: OUF00160



 D-Arabitol; GC-EI-TOF; MS; n TMS; RT:647.044 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00160
RECORD_TITLE: D-Arabitol; GC-EI-TOF; MS; n TMS; RT:647.044 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$NAME: D-Arabitol CH$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-/m1/s1 CH$LINK: CAS 488-82-4 CH$LINK: CHEBI 18333 CH$LINK: CHEMSPIDER 84971 CH$LINK: PUBCHEM 94154 CH$LINK: INCHIKEY HEBKCHPVOIAQTA-QWWZWVQMSA-N
AC$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 1699.132 AC$CHROMATOGRAPHY: RETENTION_TIME 647.044 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0gba-0940000000-fd0f8e8fa319acbbf301 PK$NUM_PEAK: 164 PK$PEAK: m/z int. rel.int. 85 15 15 86 4 4 87 26 26 88 23 23 89 99 99 90 11 11 91 5 5 92 1 1 94 2 2 95 1 1 96 1 1 97 6 6 98 3 3 99 17 17 100 3 3 101 102 102 102 17 17 103 998 998 104 96 96 105 48 48 106 3 3 107 1 1 109 1 1 111 10 10 112 2 2 113 24 24 114 4 4 115 24 24 116 46 46 117 365 365 118 40 40 119 34 34 120 4 4 121 2 2 125 2 2 126 2 2 127 9 9 128 3 3 129 430 430 130 56 56 131 109 109 132 17 17 133 226 226 134 33 33 135 22 22 136 2 2 137 1 1 139 1 1 141 5 5 142 7 7 143 37 37 144 6 6 145 16 16 146 5 5 147 999 999 148 159 159 149 106 106 150 13 13 151 7 7 152 1 1 153 5 5 154 1 1 155 17 17 156 3 3 157 65 65 158 9 9 159 10 10 160 2 2 161 10 10 162 2 2 163 14 14 164 2 2 165 1 1 167 1 1 168 1 1 169 4 4 170 7 7 171 10 10 172 2 2 173 5 5 174 2 2 175 23 23 176 5 5 177 14 14 178 3 3 179 2 2 182 1 1 183 1 1 185 1 1 186 1 1 187 2 2 188 1 1 189 118 118 190 30 30 191 92 92 192 18 18 193 9 9 194 1 1 201 3 3 202 3 3 203 53 53 204 148 148 205 309 309 206 67 67 207 40 40 208 7 7 209 2 2 215 5 5 216 4 4 217 944 944 218 236 236 219 97 97 220 17 17 221 34 34 222 8 8 223 4 4 224 1 1 229 17 17 230 7 7 231 6 6 232 1 1 233 1 1 242 3 3 243 60 60 244 15 15 245 9 9 246 2 2 247 2 2 248 1 1 249 1 1 263 1 1 265 2 2 277 33 33 278 15 15 279 7 7 280 2 2 291 14 14 292 5 5 293 3 3 305 8 8 306 15 15 307 123 123 308 40 40 309 18 18 310 4 4 317 17 17 318 9 9 319 113 113 320 37 37 321 17 17 322 4 4 323 1 1 331 1 1 332 17 17 333 7 7 334 3 3 335 1 1 395 5 5 396 2 2 397 1 1 409 1 1 422 3 3 423 1 1 424 1 1 //