MassBank Record: PR010054



 D-Xylulose; GC-EI-TOF; MS; 4 TMS; 1 MEOX; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010054
RECORD_TITLE: D-Xylulose; GC-EI-TOF; MS; 4 TMS; 1 MEOX; 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$NAME: D-Xylulose CH$NAME: D-threo-Pentulose CH$NAME: D-Lyxulose CH$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$LINK: CAS 551-84-8 CH$LINK: CHEBI 17140 CH$LINK: KEGG C00310 CH$LINK: NIKKAJI J14.195J CH$LINK: PUBCHEM 3604
AC$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 1660 AC$CHROMATOGRAPHY: RETENTION_TIME 410.788 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C18H45NO5Si4 MS$FOCUSED_ION: DERIVATIVE_MASS 467.23748 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS; 1 MEOX MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9820000000-a4f820c0bafedc7e680c PK$NUM_PEAK: 135 PK$PEAK: m/z int. rel.int. 60 7 7 61 9 9 66 7 7 67 2 2 70 7 7 71 4 4 72 19 19 73 999 999 74 87 87 75 54 54 76 4 4 77 7 7 82 7 7 83 1 1 84 38 38 85 6 6 86 3 3 87 6 6 88 7 7 89 96 96 90 8 8 91 4 4 96 1 1 98 3 3 99 3 3 100 10 10 101 22 22 102 7 7 103 163 163 104 16 16 105 14 14 106 1 1 111 1 1 112 1 1 113 4 4 114 27 27 115 11 11 116 7 7 117 188 188 118 19 19 119 15 15 120 1 1 126 8 8 127 1 1 128 4 4 129 14 14 130 5 5 131 20 20 132 4 4 133 64 64 134 8 8 135 4 4 140 1 1 141 1 1 142 22 22 143 7 7 144 2 2 145 3 3 146 1 1 147 336 336 148 52 52 149 29 29 150 3 3 151 1 1 154 5 5 155 1 1 156 2 2 157 2 2 158 3 3 159 6 6 160 1 1 161 1 1 163 12 12 164 2 2 165 1 1 168 1 1 170 1 1 172 15 15 173 134 134 174 20 20 175 9 9 176 1 1 177 5 5 178 1 1 184 1 1 186 2 2 187 1 1 188 2 2 189 8 8 190 2 2 191 6 6 192 1 1 198 1 1 200 2 2 201 11 11 202 10 10 203 4 4 204 12 12 205 171 171 206 33 33 207 18 18 208 2 2 214 2 2 216 4 4 217 14 14 218 4 4 219 2 2 221 3 3 228 1 1 230 1 1 231 3 3 232 4 4 233 2 2 242 1 1 244 1 1 246 1 1 256 1 1 260 1 1 262 4 4 263 83 83 264 18 18 265 8 8 266 1 1 288 4 4 289 1 1 291 1 1 318 1 1 333 2 2 334 2 2 335 1 1 362 1 1 364 5 5 365 1 1 452 1 1 467 1 1 //