MassBank Record: JP004541



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

ACCESSION: JP004541
RECORD_TITLE: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONATE; 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$NAME: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H23F3NO4P CH$EXACT_MASS: 333.13168 CH$SMILES: CCCCOP(=O)(OCCCC)C(C)NC(=O)C(F)(F)F CH$IUPAC: InChI=1S/C12H23F3NO4P/c1-4-6-8-19-21(18,20-9-7-5-2)10(3)16-11(17)12(13,14)15/h10H,4-9H2,1-3H3,(H,16,17) CH$LINK: INCHIKEY KXEFGAZWYZRDOU-UHFFFAOYSA-N
AC$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: splash10-001i-1609000000-bf0f28c1164830ce7516 PK$NUM_PEAK: 79 PK$PEAK: m/z int. rel.int. 72 3.3 33 73 9.2 92 84 0.8 8 85 0.09 1 86 1.1 11 89 0.6 6 95 1 10 96 0.08 1 98 0.7 7 109 1 10 110 0.9 9 111 0.08 1 112 1.1 11 114 14.5 145 115 0.6 6 122 0.06 1 123 1.2 12 124 0.8 8 125 1.6 16 126 0.09 1 128 0.6 6 137 1.6 16 138 1.4 14 139 0.49 5 140 11.1 111 141 1 10 142 1.5 15 151 0.22 2 152 0.9 9 153 1.2 12 154 0.9 9 155 0.06 1 156 2.3 23 165 1.4 14 166 0.6 6 167 0.32 3 177 0.6 6 179 1.3 13 180 2 20 181 0.18 2 193 11.8 118 194 1.8 18 195 24.7 247 196 0.27 3 197 1 10 204 0.8 8 207 1.4 14 209 0.12 1 221 1 10 222 1.4 14 223 1.5 15 235 0.09 1 236 0.6 6 237 0.7 7 260 0.7 7 262 0.06 1 278 2.9 29 318 0.8 8 332 1.3 13 334 99.99 999 335 11.9 119 336 1.5 15 337 0.1 1 348 0.1 1 349 0.2 2 351 0.2 2 363 0.1 1 365 0.01 0 372 1.5 15 373 0.3 3 374 0.5 5 375 0.01 0 376 0.2 2 377 0.4 4 378 0.1 1 389 0.01 0 391 0.6 6 392 0.1 1 405 0.5 5 //