ACCESSION: MSBNK-RIKEN-PR010231
RECORD_TITLE: rac-Glycerol 3-phosphoate; GC-EI-TOF; MS; 4 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2012.05.21)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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$LINK: CAS 3325-00-6
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 1740
AC$CHROMATOGRAPHY: RETENTION_TIME 460.969 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C15H39O6PSi4
MS$FOCUSED_ION: DERIVATIVE_MASS 458.15613
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9521000000-a9c16d872213367b4307
PK$NUM_PEAK: 171
PK$PEAK: m/z int. rel.int.
  60 10 10
  61 20 20
  62 2 2
  63 3 3
  66 4 4
  67 1 1
  70 6 6
  71 8 8
  72 27 27
  73 999 999
  74 91 91
  75 92 92
  76 8 8
  77 29 29
  78 4 4
  79 18 18
  80 1 1
  83 1 1
  84 2 2
  85 7 7
  86 1 1
  87 9 9
  88 4 4
  89 11 11
  90 1 1
  91 3 3
  92 1 1
  93 1 1
  98 1 1
  99 5 5
  100 1 1
  101 104 104
  102 12 12
  103 108 108
  104 11 11
  105 10 10
  106 1 1
  107 3 3
  109 1 1
  111 1 1
  113 18 18
  114 2 2
  115 22 22
  116 23 23
  117 19 19
  118 3 3
  119 10 10
  120 1 1
  121 5 5
  123 2 2
  127 1 1
  128 1 1
  129 53 53
  130 10 10
  131 47 47
  132 6 6
  133 83 83
  134 11 11
  135 24 24
  136 3 3
  137 9 9
  138 1 1
  139 1 1
  145 2 2
  147 107 107
  148 17 17
  149 15 15
  150 2 2
  151 6 6
  152 1 1
  153 1 1
  159 1 1
  161 1 1
  163 4 4
  164 1 1
  165 3 3
  167 2 2
  175 1 1
  177 2 2
  179 2 2
  181 10 10
  182 2 2
  183 4 4
  184 1 1
  189 2 2
  191 11 11
  192 2 2
  193 13 13
  194 2 2
  195 12 12
  196 2 2
  197 3 3
  203 8 8
  204 2 2
  205 5 5
  206 1 1
  207 22 22
  208 5 5
  209 4 4
  210 2 2
  211 61 61
  212 10 10
  213 6 6
  217 2 2
  218 14 14
  219 7 7
  220 2 2
  221 1 1
  225 14 14
  226 4 4
  227 12 12
  228 2 2
  229 1 1
  241 11 11
  242 2 2
  243 8 8
  244 1 1
  253 3 3
  254 1 1
  255 2 2
  256 14 14
  257 3 3
  258 1 1
  269 3 3
  270 1 1
  271 1 1
  283 3 3
  284 1 1
  285 12 12
  286 3 3
  287 2 2
  298 7 7
  299 118 118
  300 32 32
  301 18 18
  302 3 3
  303 1 1
  313 2 2
  314 6 6
  315 28 28
  316 8 8
  317 4 4
  318 1 1
  327 2 2
  328 6 6
  329 2 2
  330 1 1
  341 8 8
  342 4 4
  343 2 2
  356 7 7
  357 75 75
  358 23 23
  359 11 11
  360 2 2
  369 1 1
  370 13 13
  371 5 5
  372 3 3
  373 6 6
  374 2 2
  375 1 1
  386 1 1
  387 8 8
  388 3 3
  389 3 3
  390 1 1
  444 2 2
  445 12 12
  446 5 5
  447 2 2
//