MassBank Record: PR010125



 Ciliatine; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
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ACCESSION: 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$LINK: NIKKAJI J13.761H
AC$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 //