ACCESSION: MSBNK-Kazusa-KZ000004
RECORD_TITLE: Ciliatine; GC-EI-TOF; MS; 3 TMS; BP:398
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_01395_P000148

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 1777.6
AC$CHROMATOGRAPHY: RETENTION_TIME 830.513 sec

MS$FOCUSED_ION: BASE_PEAK 398
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-006t-1924000000-019eec9c61c5bc5c61b9
PK$NUM_PEAK: 246
PK$PEAK: m/z int. rel.int.
  82 2 2
  83 7 7
  84 22 22
  85 27 27
  86 328 328
  87 48 48
  88 17 17
  89 13 13
  90 3 3
  91 8 8
  92 5 5
  93 4 4
  95 2 2
  96 5 5
  97 4 4
  98 12 12
  99 11 11
  100 211 211
  101 35 35
  102 30 30
  103 30 30
  104 8 8
  105 21 21
  106 4 4
  107 13 13
  108 1 1
  109 2 2
  110 1 1
  111 1 1
  112 3 3
  113 26 26
  114 217 217
  115 89 89
  116 42 42
  117 42 42
  118 11 11
  119 43 43
  120 8 8
  121 44 44
  122 4 4
  123 4 4
  124 1 1
  125 1 1
  126 1 1
  127 1 1
  128 3 3
  129 17 17
  130 265 265
  131 118 118
  132 60 60
  133 189 189
  134 36 36
  135 191 191
  136 25 25
  137 20 20
  138 2 2
  139 1 1
  140 1 1
  141 1 1
  142 6 6
  143 6 6
  144 6 6
  145 8 8
  146 127 127
  147 199 199
  148 39 39
  149 30 30
  150 5 5
  151 18 18
  152 2 2
  153 2 2
  154 1 1
  156 6 6
  157 3 3
  158 11 11
  159 3 3
  160 11 11
  161 4 4
  162 3 3
  163 11 11
  164 3 3
  165 18 18
  166 3 3
  167 6 6
  168 1 1
  169 1 1
  170 6 6
  171 4 4
  172 430 430
  173 80 80
  174 709 709
  175 127 127
  176 54 54
  177 22 22
  178 8 8
  179 15 15
  180 5 5
  181 33 33
  182 7 7
  183 3 3
  184 1 1
  185 1 1
  186 2 2
  187 11 11
  188 25 25
  189 18 18
  190 13 13
  191 57 57
  192 39 39
  193 47 47
  194 18 18
  195 51 51
  196 10 10
  197 5 5
  198 1 1
  201 1 1
  202 1 1
  203 4 4
  204 7 7
  205 12 12
  206 11 11
  207 122 122
  208 48 48
  209 132 132
  210 30 30
  211 34 34
  212 5 5
  213 2 2
  217 1 1
  218 1 1
  219 1 1
  220 3 3
  221 8 8
  222 5 5
  223 7 7
  224 9 9
  225 74 74
  226 16 16
  227 7 7
  228 1 1
  232 1 1
  234 2 2
  235 2 2
  236 12 12
  237 22 22
  238 7 7
  239 5 5
  240 1 1
  241 1 1
  246 1 1
  247 1 1
  248 2 2
  249 1 1
  250 3 3
  251 3 3
  252 4 4
  253 3 3
  254 3 3
  255 2 2
  256 1 1
  260 1 1
  262 1 1
  263 1 1
  264 2 2
  265 3 3
  266 16 16
  267 11 11
  268 5 5
  269 4 4
  270 2 2
  271 1 1
  272 1 1
  273 1 1
  274 1 1
  275 1 1
  276 1 1
  277 1 1
  278 2 2
  279 1 1
  280 2 2
  281 7 7
  282 23 23
  283 22 22
  284 10 10
  285 4 4
  286 1 1
  292 1 1
  293 2 2
  294 10 10
  295 4 4
  296 8 8
  297 93 93
  298 162 162
  299 57 57
  300 23 23
  301 6 6
  302 2 2
  303 1 1
  304 1 1
  305 1 1
  306 1 1
  307 1 1
  308 5 5
  309 13 13
  310 88 88
  311 32 32
  312 60 60
  313 26 26
  314 10 10
  315 3 3
  316 1 1
  322 1 1
  323 1 1
  324 7 7
  325 12 12
  326 10 10
  327 4 4
  328 1 1
  338 1 1
  339 15 15
  340 72 72
  341 33 33
  342 14 14
  343 4 4
  344 1 1
  367 1 1
  368 3 3
  369 3 3
  370 1 1
  371 1 1
  381 1 1
  382 7 7
  383 4 4
  384 2 2
  395 3 3
  396 21 21
  397 132 132
  398 999 999
  399 345 345
  400 177 177
  401 44 44
  402 12 12
  403 2 2
  411 1 1
  412 2 2
  413 1 1
//