MassBank Record: PR010135



 Ribitol; GC-EI-TOF; MS; 5 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010135
RECORD_TITLE: Ribitol; GC-EI-TOF; MS; 5 TMS; 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$NAME: Adonitol CH$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: KEGG C00474 CH$LINK: NIKKAJI J6.033J CH$LINK: PUBCHEM 3757
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$CHROMATOGRAPHY: RETENTION_INDEX 1755.1 AC$CHROMATOGRAPHY: RETENTION_TIME 425.835 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C20H52O5Si5 MS$FOCUSED_ION: DERIVATIVE_MASS 512.26611 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-8930000000-85527d43cd5f10f959a8 PK$NUM_PEAK: 160 PK$PEAK: m/z int. rel.int. 60 6 6 61 10 10 63 1 1 65 1 1 66 5 5 67 2 2 69 19 19 70 5 5 71 7 7 72 21 21 73 999 999 74 77 77 75 115 115 76 10 10 77 10 10 81 50 50 82 3 3 83 2 2 84 1 1 85 6 6 86 1 1 87 8 8 88 2 2 89 22 22 90 2 2 91 1 1 96 1 1 97 5 5 98 1 1 99 10 10 100 3 3 101 33 33 102 5 5 103 133 133 104 13 13 105 8 8 111 5 5 112 1 1 113 8 8 114 2 2 115 15 15 116 8 8 117 80 80 118 8 8 119 12 12 120 1 1 121 1 1 125 1 1 127 5 5 128 1 1 129 269 269 130 32 32 131 31 31 132 5 5 133 82 82 134 11 11 135 10 10 136 1 1 141 1 1 142 5 5 143 19 19 144 3 3 145 5 5 146 1 1 147 175 175 148 28 28 149 33 33 150 4 4 151 2 2 153 1 1 155 67 67 156 21 21 157 28 28 158 5 5 159 6 6 160 1 1 161 4 4 162 1 1 163 9 9 164 1 1 165 1 1 169 1 1 170 6 6 171 26 26 172 5 5 173 8 8 174 5 5 175 32 32 176 6 6 177 12 12 178 1 1 179 1 1 185 1 1 187 1 1 188 19 19 189 98 98 190 20 20 191 27 27 192 4 4 193 6 6 194 1 1 197 2 2 200 1 1 201 6 6 202 1 1 203 9 9 204 6 6 205 19 19 206 4 4 207 23 23 208 5 5 209 3 3 215 2 2 216 3 3 217 151 151 218 35 35 219 21 21 220 3 3 221 30 30 222 8 8 223 4 4 229 1 1 230 2 2 231 9 9 232 3 3 233 4 4 234 1 1 235 1 1 242 4 4 243 16 16 244 44 44 245 24 24 246 7 7 247 2 2 248 1 1 249 3 3 250 1 1 259 1 1 262 3 3 263 11 11 264 3 3 265 1 1 271 1 1 272 3 3 273 12 12 274 2 2 275 1 1 286 1 1 287 1 1 305 2 2 306 1 1 331 1 1 332 3 3 333 2 2 334 2 2 361 1 1 363 1 1 450 1 1 451 3 3 452 1 1 //