MassBank Record: PR010085



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

ACCESSION: PR010085
RECORD_TITLE: L-Iditol; GC-EI-TOF; MS; n 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 1900.4 AC$CHROMATOGRAPHY: RETENTION_TIME 461.491 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C{6+3*n}H{14+8*n}O6Si{n} MS$FOCUSED_ION: DERIVATIVE_MASS 182.07904+72.03953*n MS$FOCUSED_ION: DERIVATIVE_TYPE n TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9840000000-8e49f8e2140e97ecd440 PK$NUM_PEAK: 190 PK$PEAK: m/z int. rel.int. 60 5 5 61 7 7 65 2 2 66 7 7 67 3 3 69 11 11 70 5 5 71 5 5 72 19 19 73 999 999 74 88 88 75 103 103 76 9 9 77 9 9 81 20 20 82 1 1 83 3 3 84 2 2 85 6 6 86 2 2 87 9 9 88 5 5 89 23 23 90 2 2 91 1 1 93 1 1 94 1 1 96 1 1 97 4 4 98 1 1 99 5 5 100 3 3 101 31 31 102 5 5 103 210 210 104 21 21 105 11 11 109 2 2 111 9 9 112 1 1 113 4 4 114 2 2 115 10 10 116 18 18 117 109 109 118 11 11 119 11 11 120 1 1 121 1 1 125 1 1 126 1 1 127 3 3 128 1 1 129 80 80 130 10 10 131 22 22 132 3 3 133 65 65 134 9 9 135 7 7 136 1 1 138 1 1 139 1 1 141 2 2 142 4 4 143 17 17 144 2 2 145 4 4 146 1 1 147 222 222 148 33 33 149 33 33 150 4 4 151 2 2 153 1 1 154 1 1 155 8 8 156 1 1 157 19 19 158 3 3 159 5 5 160 1 1 161 3 3 162 1 1 163 7 7 164 1 1 166 1 1 167 4 4 168 1 1 169 4 4 170 4 4 171 16 16 172 2 2 173 4 4 174 4 4 175 19 19 176 4 4 177 8 8 178 1 1 183 20 20 184 3 3 185 5 5 186 1 1 187 2 2 188 11 11 189 63 63 190 13 13 191 25 25 192 4 4 193 4 4 197 1 1 200 1 1 201 7 7 202 1 1 203 10 10 204 37 37 205 70 70 206 14 14 207 16 16 208 3 3 209 3 3 215 2 2 216 2 2 217 283 283 218 60 60 219 27 27 220 4 4 221 16 16 222 3 3 223 1 1 227 1 1 229 3 3 230 9 9 231 37 37 232 8 8 233 3 3 234 1 1 243 1 1 244 1 1 245 4 4 246 1 1 247 1 1 249 1 1 250 1 1 255 2 2 256 1 1 257 10 10 258 2 2 259 6 6 260 2 2 261 3 3 262 1 1 263 6 6 264 1 1 265 1 1 272 2 2 273 9 9 274 1 1 277 2 2 278 1 1 279 1 1 285 4 4 286 1 1 299 2 2 300 1 1 305 1 1 307 7 7 308 2 2 309 1 1 320 3 3 321 12 12 322 3 3 323 1 1 332 3 3 333 11 11 334 3 3 335 1 1 346 1 1 347 1 1 362 1 1 373 1 1 374 4 4 375 15 15 376 5 5 377 1 1 378 1 1 666 1 1 667 1 1 712 1 1 753 1 1 //