ACCESSION: MSBNK-Osaka_Univ-OUF00403
RECORD_TITLE: O-Phospho-L-serine; GC-EI-TOF; MS; n TMS; RT:699.745 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, 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$LINK: PUBCHEM CID:68841
CH$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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$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
//