MassBank Record: PR010086



 L-Iditol; GC-EI-TOF; MS; 6 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010086
RECORD_TITLE: L-Iditol; GC-EI-TOF; MS; 6 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$NAME: L-Iditol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H14O6 CH$EXACT_MASS: 182.07904 CH$SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO CH$IUPAC: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1 CH$LINK: CAS 488-45-9 CH$LINK: CHEBI 18202 CH$LINK: KEGG C01507 CH$LINK: NIKKAJI J92.811I CH$LINK: PUBCHEM 4675
AC$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 1925 AC$CHROMATOGRAPHY: RETENTION_TIME 466.408 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C24H62O6Si6 MS$FOCUSED_ION: DERIVATIVE_MASS 614.3162 MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9831000000-b584a0f43c4b8154d986 PK$NUM_PEAK: 126 PK$PEAK: m/z int. rel.int. 60 3 3 61 4 4 66 4 4 67 2 2 69 4 4 70 2 2 71 3 3 72 17 17 73 999 999 74 86 86 75 49 49 76 3 3 77 4 4 81 2 2 83 9 9 84 1 1 85 3 3 87 5 5 88 4 4 89 25 25 90 2 2 91 1 1 97 6 6 99 3 3 101 20 20 102 4 4 103 226 226 104 21 21 105 9 9 111 2 2 113 4 4 115 5 5 116 6 6 117 102 102 118 10 10 119 8 8 127 2 2 129 72 72 130 9 9 131 24 24 132 3 3 133 49 49 134 7 7 135 4 4 141 1 1 142 1 1 143 13 13 144 1 1 145 3 3 147 278 278 148 43 43 149 26 26 150 2 2 151 1 1 155 3 3 157 45 45 158 6 6 159 3 3 161 2 2 163 4 4 169 3 3 173 1 1 175 6 6 176 1 1 177 3 3 183 6 6 184 1 1 189 26 26 190 7 7 191 28 28 192 5 5 193 2 2 201 1 1 203 3 3 204 33 33 205 132 132 206 26 26 207 14 14 208 2 2 215 1 1 217 193 193 218 40 40 219 17 17 220 2 2 221 7 7 222 1 1 223 1 1 229 13 13 230 4 4 231 13 13 232 3 3 233 1 1 243 1 1 247 1 1 255 6 6 256 1 1 257 1 1 259 4 4 260 1 1 265 1 1 277 7 7 278 4 4 279 1 1 291 5 5 292 1 1 305 5 5 306 4 4 307 29 29 308 8 8 309 4 4 318 1 1 319 101 101 320 31 31 321 15 15 322 3 3 331 9 9 332 3 3 333 1 1 345 4 4 346 1 1 409 2 2 410 1 1 419 3 3 420 1 1 421 3 3 422 1 1 //