ACCESSION: MSBNK-RIKEN-PR010125
RECORD_TITLE: Ciliatine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 2-Aminoethylphosphonic acid
CH$NAME: Ciliatine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₂H₈NO₃P
CH$EXACT_MASS: 125.02418
CH$SMILES: NCCP(O)(O)=O
CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
CH$LINK: CAS 2041-14-7
CH$LINK: NIKKAJI J13.761H
CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10174362

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$CHROMATOGRAPHY: RETENTION_INDEX 1734.5
AC$CHROMATOGRAPHY: RETENTION_TIME 421.265 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C11H32NO3PSi3
MS$FOCUSED_ION: DERIVATIVE_MASS 341.14276
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9713000000-3e5f50b6ad9d0fc672b0
PK$NUM_PEAK: 177
PK$PEAK: m/z int. rel.int.
  60 13 13
  61 14 14
  62 1 1
  63 2 2
  66 1 1
  70 8 8
  71 7 7
  72 28 28
  73 999 999
  74 83 83
  75 48 48
  76 4 4
  77 30 30
  78 3 3
  79 14 14
  83 2 2
  84 4 4
  85 7 7
  86 97 97
  87 14 14
  88 5 5
  89 3 3
  90 1 1
  91 2 2
  92 1 1
  93 1 1
  96 1 1
  97 1 1
  98 3 3
  99 3 3
  100 64 64
  101 11 11
  102 8 8
  103 9 9
  104 2 2
  105 6 6
  106 1 1
  107 4 4
  112 1 1
  113 8 8
  114 66 66
  115 28 28
  116 13 13
  117 14 14
  118 4 4
  119 15 15
  120 2 2
  121 15 15
  122 1 1
  123 1 1
  128 1 1
  129 5 5
  130 81 81
  131 35 35
  132 18 18
  133 60 60
  134 11 11
  135 63 63
  136 8 8
  137 6 6
  142 1 1
  143 2 2
  144 2 2
  145 2 2
  146 33 33
  147 62 62
  148 12 12
  149 10 10
  150 1 1
  151 6 6
  152 1 1
  156 2 2
  157 1 1
  158 4 4
  159 1 1
  160 4 4
  161 1 1
  162 1 1
  163 3 3
  164 1 1
  165 4 4
  166 1 1
  167 1 1
  170 1 1
  171 1 1
  172 100 100
  173 19 19
  174 167 167
  175 31 31
  176 16 16
  177 8 8
  178 2 2
  179 5 5
  180 1 1
  181 10 10
  182 2 2
  183 1 1
  187 3 3
  188 7 7
  189 5 5
  190 3 3
  191 17 17
  192 11 11
  193 14 14
  194 5 5
  195 15 15
  196 3 3
  197 1 1
  203 1 1
  204 1 1
  205 3 3
  206 3 3
  207 35 35
  208 13 13
  209 38 38
  210 8 8
  211 10 10
  212 1 1
  221 2 2
  222 1 1
  223 2 2
  224 2 2
  225 22 22
  226 5 5
  227 2 2
  236 3 3
  237 7 7
  238 2 2
  239 1 1
  251 1 1
  252 1 1
  254 1 1
  266 5 5
  267 2 2
  268 1 1
  269 1 1
  281 1 1
  282 7 7
  283 6 6
  284 2 2
  285 1 1
  294 3 3
  295 1 1
  296 1 1
  297 22 22
  298 48 48
  299 16 16
  300 7 7
  301 1 1
  308 1 1
  309 1 1
  310 28 28
  311 8 8
  312 19 19
  313 8 8
  314 3 3
  315 1 1
  324 2 2
  325 3 3
  326 2 2
  339 1 1
  340 24 24
  341 8 8
  342 4 4
  343 1 1
  368 1 1
  382 2 2
  383 1 1
  396 4 4
  397 22 22
  398 249 249
  399 95 95
  400 53 53
  401 15 15
  402 4 4
  403 1 1
  412 1 1
//