MassBank Record: OUF00403



 O-Phospho-L-serine; GC-EI-TOF; MS; n TMS; RT:699.745 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00403
RECORD_TITLE: O-Phospho-L-serine; GC-EI-TOF; MS; n TMS; RT:699.745 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$NAME: O-Phospho-L-serine CH$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: CHEBI 15811 CH$LINK: CHEMSPIDER 62074 CH$LINK: KEGG C01005 CH$LINK: PUBCHEM 68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-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$CHROMATOGRAPHY: RETENTION_INDEX 1820.969 AC$CHROMATOGRAPHY: RETENTION_TIME 699.745 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0k92-0943000000-2c96e781366647a38c1b PK$NUM_PEAK: 241 PK$PEAK: m/z int. rel.int. 85 55 55 86 92 92 87 74 74 88 123 123 89 68 68 90 14 14 91 35 35 92 13 13 93 15 15 94 2 2 95 2 2 96 9 9 97 5 5 98 66 66 99 45 45 100 579 579 101 88 88 102 52 52 103 117 117 104 19 19 105 53 53 106 8 8 107 27 27 108 2 2 109 8 8 112 6 6 113 37 37 114 329 329 115 224 224 116 518 518 117 138 138 118 36 36 119 76 76 120 10 10 121 51 51 122 4 4 123 22 22 124 1 1 125 1 1 126 3 3 127 2 2 128 10 10 129 77 77 130 35 35 131 114 114 132 63 63 133 515 515 134 88 88 135 181 181 136 20 20 137 83 83 138 8 8 139 5 5 140 5 5 141 5 5 142 20 20 143 25 25 144 260 260 145 35 35 146 19 19 147 704 704 148 124 124 149 84 84 150 8 8 151 56 56 152 6 6 153 10 10 155 1 1 156 2 2 158 10 10 159 25 25 160 12 12 161 8 8 162 3 3 163 20 20 164 4 4 165 20 20 166 5 5 167 22 22 168 2 2 169 2 2 170 1 1 172 42 42 173 12 12 174 12 12 175 3 3 176 3 3 177 14 14 178 10 10 179 19 19 180 6 6 181 95 95 182 20 20 183 34 34 184 12 12 185 3 3 186 4 4 187 2 2 188 200 200 189 77 77 190 30 30 191 86 86 192 22 22 193 103 103 194 21 21 195 108 108 196 19 19 197 22 22 198 4 4 199 1 1 200 3 3 202 5 5 203 6 6 204 4 4 205 14 14 206 6 6 207 128 128 208 25 25 209 22 22 210 13 13 211 358 358 212 68 68 213 36 36 214 7 7 215 2 2 216 258 258 217 62 62 218 178 178 219 33 33 220 13 13 221 10 10 222 4 4 223 2 2 224 2 2 225 85 85 226 18 18 227 71 71 228 8 8 229 3 3 230 4 4 231 11 11 232 206 206 233 44 44 234 20 20 235 1 1 236 2 2 237 1 1 238 2 2 239 1 1 240 2 2 241 20 20 242 2 2 243 14 14 244 3 3 250 1 1 252 13 13 253 6 6 254 3 3 255 5 5 256 6 6 258 1 1 260 1 1 262 1 1 264 1 1 266 1 1 267 4 4 268 24 24 269 16 16 270 8 8 271 1 1 277 1 1 282 1 1 283 40 40 284 28 28 285 28 28 286 9 9 287 3 3 289 1 1 298 58 58 299 999 999 300 332 332 301 171 171 302 35 35 303 10 10 305 1 1 307 1 1 308 2 2 309 3 3 310 2 2 311 3 3 313 11 11 314 73 73 315 257 257 316 88 88 317 49 49 318 9 9 319 3 3 326 1 1 327 3 3 328 69 69 329 23 23 330 8 8 331 2 2 339 1 1 340 7 7 341 3 3 342 5 5 343 3 3 345 1 1 347 1 1 354 1 1 355 59 59 356 846 846 357 311 311 358 148 148 359 34 34 360 6 6 361 1 1 368 3 3 369 1 1 370 4 4 371 2 2 372 1 1 373 4 4 386 1 1 401 1 1 413 1 1 416 1 1 429 1 1 430 2 2 431 1 1 432 1 1 440 1 1 454 1 1 457 2 2 458 12 12 459 7 7 460 3 3 461 1 1 465 1 1 474 1 1 //