MassBank Record: KZ000210



 rac-Glycerol 3-phosphoate; GC-EI-TOF; MS; 4 TMS; BP:101 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000210
RECORD_TITLE: rac-Glycerol 3-phosphoate; GC-EI-TOF; MS; 4 TMS; BP:101
DATE: 2016.01.19 (2009.03.11, 2012.05.21)
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_01508_P000052

CH$NAME: Glycerol 1-phosphate CH$NAME: rac-Glycerol 3-phosphoate CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C3H9O6P CH$EXACT_MASS: 172.01367 CH$SMILES: OCC(O)COP(O)(O)=O CH$IUPAC: InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1 CH$LINK: CAS 5746-57-6 CH$LINK: KEGG C00623 CH$LINK: INCHIKEY AWUCVROLDVIAJX-VKHMYHEASA-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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1812.6 AC$CHROMATOGRAPHY: RETENTION_TIME 842.963 sec
MS$FOCUSED_ION: BASE_PEAK 101 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udj-0933000000-b4451fc24370d271ff11 PK$NUM_PEAK: 270 PK$PEAK: m/z int. rel.int. 82 1 1 83 8 8 84 13 13 85 69 69 86 12 12 87 72 72 88 35 35 89 88 88 90 13 13 91 16 16 92 10 10 93 11 11 94 3 3 95 4 4 96 5 5 97 6 6 98 11 11 99 50 50 100 10 10 101 999 999 102 111 111 103 847 847 104 89 89 105 73 73 106 10 10 107 20 20 108 3 3 109 8 8 110 1 1 111 13 13 112 3 3 113 160 160 114 21 21 115 186 186 116 193 193 117 158 158 118 25 25 119 71 71 120 11 11 121 36 36 122 5 5 123 15 15 124 2 2 125 2 2 126 1 1 127 10 10 128 9 9 129 464 464 130 91 91 131 415 415 132 56 56 133 603 603 134 86 86 135 166 166 136 19 19 137 54 54 138 6 6 139 7 7 140 1 1 141 1 1 142 1 1 143 6 6 144 1 1 145 17 17 146 4 4 147 967 967 148 154 154 149 134 134 150 18 18 151 46 46 152 6 6 153 12 12 154 1 1 155 3 3 157 2 2 159 7 7 160 1 1 161 7 7 162 3 3 163 37 37 164 7 7 165 19 19 166 4 4 167 16 16 168 3 3 169 3 3 170 1 1 171 1 1 172 1 1 173 2 2 174 1 1 175 10 10 176 4 4 177 17 17 178 5 5 179 19 19 180 5 5 181 71 71 182 12 12 183 29 29 184 6 6 185 4 4 186 1 1 187 2 2 188 1 1 189 22 22 190 6 6 191 79 79 192 19 19 193 89 89 194 18 18 195 78 78 196 14 14 197 23 23 198 5 5 199 3 3 200 2 2 201 2 2 202 1 1 203 64 64 204 19 19 205 42 42 206 9 9 207 167 167 208 36 36 209 31 31 210 14 14 211 453 453 212 76 76 213 45 45 214 6 6 215 3 3 216 1 1 217 21 21 218 108 108 219 54 54 220 16 16 221 11 11 222 3 3 223 4 4 224 2 2 225 103 103 226 33 33 227 91 91 228 16 16 229 7 7 230 1 1 237 4 4 238 1 1 239 3 3 240 4 4 241 97 97 242 21 21 243 53 53 244 9 9 245 4 4 246 1 1 247 1 1 248 1 1 249 2 2 250 1 1 251 2 2 252 1 1 253 20 20 254 6 6 255 18 18 256 101 101 257 20 20 258 9 9 259 1 1 265 1 1 267 3 3 268 2 2 269 22 22 270 7 7 271 6 6 272 1 1 281 2 2 282 2 2 283 26 26 284 14 14 285 81 81 286 21 21 287 12 12 288 2 2 289 1 1 297 4 4 298 59 59 299 992 992 300 262 262 301 146 146 302 27 27 303 8 8 304 2 2 305 2 2 306 1 1 307 2 2 308 2 2 309 2 2 310 2 2 311 3 3 312 2 2 313 18 18 314 48 48 315 200 200 316 65 65 317 32 32 318 7 7 319 2 2 320 1 1 326 1 1 327 14 14 328 45 45 329 16 16 330 6 6 331 1 1 337 1 1 339 1 1 340 7 7 341 69 69 342 34 34 343 17 17 344 6 6 345 2 2 346 1 1 347 2 2 348 2 2 349 2 2 350 2 2 351 2 2 352 2 2 353 2 2 354 1 1 355 6 6 356 51 51 357 630 630 358 183 183 359 94 94 360 19 19 361 5 5 362 1 1 369 6 6 370 84 84 371 27 27 372 17 17 373 46 46 374 17 17 375 9 9 376 3 3 377 1 1 385 1 1 386 11 11 387 69 69 388 28 28 389 30 30 390 11 11 391 5 5 392 2 2 414 1 1 415 8 8 416 4 4 417 4 4 418 1 1 429 1 1 444 13 13 445 82 82 446 33 33 447 16 16 448 4 4 449 1 1 //

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