ACCESSION: MSBNK-Kazusa-KZ000095
RECORD_TITLE: Ciliatine; GC-EI-TOF; MS; 3 TMS; BP:174
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_05385_P000028

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$LINK: KEGG C03557
CH$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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 823.963 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00dj-0922000000-cce918d3513acc54cfd9
PK$NUM_PEAK: 233
PK$PEAK: m/z int. rel.int.
  83 3 3
  84 4 4
  85 15 15
  86 229 229
  87 29 29
  88 11 11
  89 4 4
  90 1 1
  91 2 2
  97 1 1
  98 7 7
  99 7 7
  100 133 133
  101 22 22
  102 17 17
  103 13 13
  104 3 3
  105 8 8
  106 2 2
  107 7 7
  109 1 1
  112 2 2
  113 16 16
  114 214 214
  115 69 69
  116 35 35
  117 33 33
  118 9 9
  119 30 30
  120 6 6
  121 28 28
  122 3 3
  123 3 3
  124 1 1
  125 1 1
  126 1 1
  127 1 1
  128 3 3
  129 14 14
  130 260 260
  131 105 105
  132 58 58
  133 164 164
  134 30 30
  135 149 149
  136 20 20
  137 16 16
  138 2 2
  139 1 1
  140 1 1
  141 1 1
  142 6 6
  143 6 6
  144 6 6
  145 8 8
  146 97 97
  147 202 202
  148 41 41
  149 29 29
  150 5 5
  151 11 11
  152 2 2
  153 1 1
  154 1 1
  156 8 8
  157 3 3
  158 11 11
  159 3 3
  160 12 12
  161 3 3
  162 2 2
  163 6 6
  164 2 2
  165 11 11
  166 2 2
  167 4 4
  168 1 1
  169 1 1
  170 6 6
  171 5 5
  172 519 519
  173 110 110
  174 999 999
  175 204 204
  176 91 91
  177 24 24
  178 7 7
  179 13 13
  180 4 4
  181 19 19
  182 7 7
  183 3 3
  184 1 1
  185 1 1
  186 3 3
  187 19 19
  188 35 35
  189 20 20
  190 14 14
  191 48 48
  192 31 31
  193 42 42
  194 15 15
  195 48 48
  196 9 9
  197 5 5
  198 1 1
  199 1 1
  200 1 1
  201 1 1
  202 1 1
  203 4 4
  204 8 8
  205 13 13
  206 11 11
  207 124 124
  208 43 43
  209 119 119
  210 26 26
  211 34 34
  212 6 6
  213 2 2
  218 1 1
  219 1 1
  220 3 3
  221 7 7
  222 4 4
  223 7 7
  224 7 7
  225 70 70
  226 18 18
  227 7 7
  228 2 2
  232 1 1
  234 3 3
  235 1 1
  236 9 9
  237 25 25
  238 6 6
  239 6 6
  240 2 2
  241 1 1
  246 1 1
  247 1 1
  248 2 2
  250 2 2
  251 3 3
  252 3 3
  253 3 3
  254 1 1
  255 2 2
  256 1 1
  257 1 1
  264 1 1
  265 1 1
  266 8 8
  267 11 11
  268 5 5
  269 5 5
  270 2 2
  272 1 1
  274 1 1
  275 1 1
  276 1 1
  278 1 1
  279 1 1
  280 2 2
  281 5 5
  282 17 17
  283 23 23
  284 12 12
  285 4 4
  286 1 1
  292 1 1
  293 1 1
  294 11 11
  295 5 5
  296 6 6
  297 108 108
  298 304 304
  299 103 103
  300 46 46
  301 12 12
  302 3 3
  303 1 1
  304 1 1
  306 1 1
  307 1 1
  308 6 6
  309 6 6
  310 99 99
  311 35 35
  312 116 116
  313 52 52
  314 21 21
  315 6 6
  316 2 2
  322 1 1
  323 1 1
  324 9 9
  325 19 19
  326 9 9
  327 4 4
  328 1 1
  338 1 1
  339 9 9
  340 164 164
  341 55 55
  342 26 26
  343 6 6
  344 1 1
  366 1 1
  367 1 1
  368 5 5
  369 3 3
  370 1 1
  371 1 1
  381 1 1
  382 12 12
  383 8 8
  384 4 4
  385 1 1
  395 1 1
  396 8 8
  397 57 57
  398 302 302
  399 165 165
  400 106 106
  401 38 38
  402 12 12
  403 3 3
  411 1 1
  412 3 3
//