MassBank Record: OUF00165



 D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:880.7606729 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00165
RECORD_TITLE: D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:880.7606729 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: D-Fructose-6-Phosphate CH$NAME: D-Fructose 6-phosphate CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H13O9P CH$EXACT_MASS: 260.02972 CH$SMILES: OCC(=O)C(O)C(O)C(O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1 CH$LINK: CAS 56-83-7 CH$LINK: CHEMSPIDER 388306 CH$LINK: KEGG C00085 CH$LINK: PUBCHEM 439160 CH$LINK: INCHIKEY GSXOAOHZAIYLCY-HSUXUTPPSA-N
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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500 AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min) AC$CHROMATOGRAPHY: RETENTION_INDEX 2301.559 AC$CHROMATOGRAPHY: RETENTION_TIME 880.7606729 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-000j-0925000000-a6b6a121cb447c890019 PK$NUM_PEAK: 136 PK$PEAK: m/z int. rel.int. 86 13 13 87 13 13 88 12 12 89 371 371 90 21 21 93 6 6 100 21 21 101 380 380 102 84 84 103 406 406 104 54 54 105 87 87 109 2 2 111 24 24 112 12 12 113 50 50 114 27 27 115 34 34 116 100 100 117 35 35 118 25 25 119 53 53 125 10 10 126 4 4 127 6 6 129 597 597 130 98 98 131 248 248 133 526 526 134 34 34 135 102 102 138 17 17 142 8 8 143 73 73 147 829 829 148 111 111 149 100 100 150 16 16 151 25 25 156 39 39 157 274 274 158 42 42 159 30 30 160 249 249 161 85 85 162 34 34 163 23 23 164 6 6 170 4 4 172 5 5 175 9 9 177 9 9 180 21 21 181 15 15 182 6 6 189 13 13 190 16 16 191 19 19 192 12 12 193 77 77 196 8 8 200 36 36 203 2 2 204 64 64 205 28 28 206 16 16 207 19 19 210 1 1 211 241 241 212 35 35 214 16 16 215 9 9 217 215 215 218 79 79 220 17 17 221 6 6 222 5 5 225 34 34 227 53 53 228 5 5 229 19 19 231 36 36 233 2 2 237 8 8 243 8 8 247 32 32 251 9 9 253 24 24 255 2 2 267 9 9 278 4 4 283 16 16 285 9 9 288 9 9 299 646 646 300 199 199 301 54 54 308 2 2 313 53 53 314 8 8 315 367 367 316 91 91 317 19 19 318 5 5 320 9 9 331 21 21 334 1 1 341 30 30 343 12 12 354 1 1 357 285 285 358 54 54 359 64 64 360 25 25 364 19 19 373 6 6 386 113 113 387 999 999 388 429 429 389 249 249 390 64 64 391 10 10 396 2 2 398 15 15 417 9 9 424 6 6 438 1 1 449 10 10 452 5 5 468 12 12 470 12 12 471 35 35 472 51 51 475 1 1 481 10 10 491 10 10 //