MassBank Record: KZ000262



 Ribitol; GC-EI-TOF; MS; 5 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000262
RECORD_TITLE: Ribitol; GC-EI-TOF; MS; 5 TMS; BP:147
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01656_P000113

CH$NAME: Ribitol CH$NAME: Adonitol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H12O5 CH$EXACT_MASS: 152.06847 CH$SMILES: OC([C@H]([C@H]([C@H](CO)O)O)O) 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$LINK: INCHIKEY HEBKCHPVOIAQTA-ZXFHETKHSA-N CH$LINK: KEGG C00474 CH$LINK: KNAPSACK C00001171 CH$LINK: NIKKAJI J6.033J
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1633.1 AC$CHROMATOGRAPHY: RETENTION_TIME 759.163 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fr2-0930000000-5a1a8471040df361537c PK$NUM_PEAK: 158 PK$PEAK: m/z int. rel.int. 82 2 2 83 15 15 84 5 5 85 16 16 86 5 5 87 28 28 88 21 21 89 103 103 90 9 9 91 4 4 94 2 2 95 1 1 96 1 1 97 4 4 98 2 2 99 16 16 100 2 2 101 110 110 102 19 19 103 943 943 104 96 96 105 47 47 106 3 3 107 1 1 109 1 1 111 11 11 112 2 2 113 22 22 114 3 3 115 28 28 116 38 38 117 359 359 118 39 39 119 35 35 120 3 3 121 2 2 125 2 2 126 1 1 127 8 8 128 2 2 129 411 411 130 52 52 131 109 109 132 16 16 133 214 214 134 29 29 135 18 18 136 1 1 141 3 3 142 6 6 143 29 29 144 4 4 145 12 12 146 3 3 147 999 999 148 173 173 149 108 108 150 12 12 151 6 6 152 2 2 153 4 4 154 1 1 155 17 17 156 3 3 157 76 76 158 10 10 159 10 10 160 2 2 161 10 10 162 2 2 163 15 15 164 2 2 165 1 1 169 3 3 170 7 7 171 7 7 172 1 1 173 3 3 174 1 1 175 21 21 176 4 4 177 12 12 178 2 2 179 1 1 185 1 1 187 2 2 188 1 1 189 175 175 190 38 38 191 67 67 192 11 11 193 6 6 194 1 1 201 3 3 202 1 1 203 35 35 204 118 118 205 270 270 206 57 57 207 33 33 208 5 5 209 2 2 215 2 2 216 1 1 217 547 547 218 155 155 219 66 66 220 11 11 221 28 28 222 6 6 223 4 4 224 1 1 229 22 22 230 7 7 231 7 7 232 1 1 233 1 1 237 1 1 242 3 3 243 50 50 244 12 12 245 7 7 246 2 2 247 2 2 249 1 1 263 1 1 265 1 1 277 36 36 278 14 14 279 7 7 280 2 2 291 11 11 292 4 4 293 2 2 305 4 4 306 6 6 307 79 79 308 24 24 309 12 12 310 2 2 317 16 16 318 5 5 319 156 156 320 48 48 321 24 24 322 5 5 323 1 1 331 1 1 332 33 33 333 11 11 334 5 5 335 1 1 395 2 2 396 1 1 407 1 1 422 6 6 423 3 3 424 1 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)