MassBank Record: JP004549



 DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)PENTYLPHOSPHONATE; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004549
RECORD_TITLE: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)PENTYLPHOSPHONATE; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HAYASHI ADEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV., DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)PENTYLPHOSPHONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H29F3NO4P CH$EXACT_MASS: 375.17863 CH$SMILES: CCCCOP(=O)(OCCCC)C(CCCC)NC(=O)C(F)(F)F CH$IUPAC: InChI=1S/C15H29F3NO4P/c1-4-7-10-13(19-14(20)15(16,17)18)24(21,22-11-8-5-2)23-12-9-6-3/h13H,4-12H2,1-3H3,(H,19,20) CH$LINK: INCHIKEY VTGKYJIQDAIQCK-UHFFFAOYSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 500 eV AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-004i-4926000000-4acfdc489ff3287ac41a PK$NUM_PEAK: 136 PK$PEAK: m/z int. rel.int. 68 1.9 19 69 10 100 72 4.9 49 73 1.83 18 74 1.2 12 79 2.5 25 80 0.9 9 81 0.29 3 84 1.2 12 85 12.6 126 86 13.5 135 87 0.56 6 88 0.5 5 89 0.5 5 93 0.7 7 94 0.1 1 95 8.4 84 96 3 30 97 4.6 46 98 0.07 1 100 0.7 7 107 2 20 108 0.8 8 109 0.49 5 110 1.8 18 111 3.1 31 112 1.3 13 113 0.1 1 114 23.8 238 115 0.9 9 117 0.6 6 121 0.08 1 122 0.7 7 123 2 20 124 2 20 125 0.16 2 126 2.4 24 127 2 20 128 1.9 19 129 0.1 1 131 0.7 7 133 0.6 6 137 1 10 138 0.27 3 139 8.2 82 140 7.4 74 141 1.4 14 142 0.2 2 148 0.5 5 149 0.7 7 150 0.8 8 151 0.14 1 152 0.9 9 153 2 20 154 1.5 15 155 0.11 1 156 0.8 8 157 0.5 5 161 0.5 5 163 0.06 1 164 1.5 15 165 1.5 15 166 3.4 34 167 0.17 2 168 1.8 18 169 0.7 7 177 1.1 11 178 0.12 1 179 2.4 24 180 1.5 15 181 2.9 29 182 3.43 34 183 3.8 38 184 4.5 45 193 2.4 24 194 0.13 1 195 34.7 347 196 4.1 41 197 1.1 11 198 0.18 2 203 1.5 15 206 0.5 5 207 1.2 12 209 0.33 3 210 1.1 11 211 1.1 11 212 0.5 5 213 0.06 1 214 0.5 5 215 0.9 9 216 0.9 9 217 0.14 1 218 1.1 11 220 1.3 13 221 14.7 147 222 0.37 4 223 3.3 33 224 1.2 12 226 0.5 5 227 0.07 1 228 0.5 5 233 1 10 235 6.9 69 236 0.11 1 237 1.1 11 240 0.6 6 246 1.3 13 249 0.1 1 250 0.6 6 252 0.5 5 255 0.6 6 258 0.06 1 261 0.5 5 263 0.6 6 264 1.3 13 265 0.16 2 266 0.6 6 275 0.5 5 277 0.5 5 302 0.12 1 304 0.5 5 309 0.5 5 318 0.7 7 319 0.05 1 320 2 20 334 0.5 5 348 0.7 7 360 0.06 1 374 0.5 5 375 3.2 32 376 99.99 999 377 2.29 23 378 2.6 26 414 2.9 29 415 0.8 8 416 0.9 9 //