MassBank Record: KZ000256



 O-Phospho-L-serine; GC-EI-TOF; MS; x TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000256
RECORD_TITLE: O-Phospho-L-serine; GC-EI-TOF; MS; x TMS; BP:147
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
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_01629_P000074

CH$NAME: O-Phospho-L-serine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C3H8NO6P CH$EXACT_MASS: 185.00892 CH$SMILES: N[C@@H](COP(O)(O)=O)C(O)=O CH$IUPAC: InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 CH$LINK: CAS 407-41-0 CH$LINK: KEGG C01005 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID1046348
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 1919.6 AC$CHROMATOGRAPHY: RETENTION_TIME 857.062 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE x TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-02u1-0930000000-c899f07d021f46de8c59 PK$NUM_PEAK: 248 PK$PEAK: m/z int. rel.int. 82 10 10 83 7 7 84 36 36 85 62 62 86 94 94 87 58 58 88 57 57 89 45 45 90 12 12 91 19 19 92 6 6 93 10 10 94 3 3 95 8 8 96 5 5 97 10 10 98 66 66 99 50 50 100 680 680 101 118 118 102 58 58 103 74 74 104 15 15 105 43 43 106 6 6 107 20 20 109 16 16 111 2 2 112 21 21 113 36 36 114 509 509 115 336 336 116 530 530 117 126 126 118 30 30 119 59 59 120 16 16 121 42 42 123 27 27 125 6 6 126 4 4 127 2 2 128 13 13 129 68 68 130 41 41 131 105 105 132 76 76 133 529 529 134 108 108 135 210 210 136 29 29 137 69 69 138 9 9 139 10 10 140 2 2 141 1 1 142 34 34 143 17 17 144 238 238 145 46 46 146 33 33 147 999 999 148 241 241 149 141 141 150 20 20 151 51 51 152 8 8 153 13 13 154 3 3 155 1 1 156 7 7 157 3 3 158 21 21 159 16 16 160 8 8 161 8 8 162 4 4 163 20 20 164 5 5 165 27 27 166 4 4 167 28 28 168 3 3 170 1 1 171 1 1 172 62 62 173 19 19 174 16 16 175 5 5 177 21 21 178 12 12 179 24 24 180 8 8 181 64 64 182 24 24 183 39 39 184 15 15 185 3 3 186 4 4 187 4 4 188 252 252 189 95 95 190 41 41 191 76 76 192 16 16 193 81 81 194 24 24 195 111 111 196 19 19 197 18 18 198 7 7 199 4 4 200 1 1 201 4 4 202 9 9 203 8 8 204 5 5 205 15 15 206 10 10 207 124 124 208 37 37 209 37 37 210 19 19 211 356 356 212 89 89 213 50 50 214 11 11 215 4 4 216 319 319 217 83 83 218 282 282 219 55 55 220 34 34 221 11 11 222 3 3 223 6 6 224 2 2 225 117 117 226 41 41 227 87 87 228 14 14 229 7 7 230 10 10 231 21 21 232 336 336 233 90 90 234 40 40 235 4 4 236 11 11 237 2 2 238 3 3 239 5 5 240 3 3 241 27 27 242 6 6 243 17 17 244 3 3 246 1 1 248 1 1 251 2 2 252 20 20 253 9 9 254 6 6 255 9 9 257 5 5 261 2 2 262 2 2 263 2 2 266 2 2 267 1 1 268 16 16 269 19 19 270 8 8 271 3 3 272 3 3 273 1 1 274 1 1 280 1 1 282 2 2 283 20 20 284 15 15 285 30 30 286 9 9 287 2 2 288 1 1 295 1 1 298 8 8 299 252 252 300 111 111 301 67 67 302 14 14 303 5 5 309 2 2 311 1 1 312 2 2 313 4 4 315 71 71 316 19 19 317 16 16 318 4 4 319 1 1 320 2 2 325 1 1 326 2 2 328 13 13 329 18 18 330 6 6 331 2 2 332 1 1 341 5 5 342 4 4 343 3 3 344 1 1 351 1 1 355 9 9 359 9 9 360 2 2 361 2 2 365 1 1 368 4 4 369 4 4 371 3 3 374 4 4 378 1 1 385 1 1 387 5 5 388 1 1 389 3 3 390 1 1 391 1 1 395 1 1 402 1 1 403 1 1 406 1 1 414 1 1 417 1 1 430 16 16 431 9 9 432 6 6 433 1 1 456 1 1 457 2 2 458 43 43 459 23 23 460 16 16 461 4 4 462 1 1 466 1 1 //

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