MassBank Record: JP004558



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

ACCESSION: JP004558
RECORD_TITLE: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)PROPYLPHOSPHONATE; 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$NAME: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)PROPYLPHOSPHONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H25F3NO4P CH$EXACT_MASS: 347.14733 CH$SMILES: CCCCOP(=O)(OCCCC)C(CC)NC(=O)C(F)(F)F CH$IUPAC: InChI=1S/C13H25F3NO4P/c1-4-7-9-20-22(19,21-10-8-5-2)11(6-3)17-12(18)13(14,15)16/h11H,4-10H2,1-3H3,(H,17,18) CH$LINK: INCHIKEY DOBUKKUNTRWKHT-UHFFFAOYSA-N
AC$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: splash10-0002-2927000000-2f8d8eb0b412cf10b22b PK$NUM_PEAK: 91 PK$PEAK: m/z int. rel.int. 61 1.2 12 66 0.7 7 67 1.6 16 70 2.5 25 71 11 110 72 4.3 43 73 2.1 21 82 0.08 1 83 5 50 84 3.2 32 85 3 30 89 0.08 1 91 0.5 5 93 0.8 8 94 0.5 5 96 0.13 1 100 2.2 22 101 1.7 17 102 0.6 6 114 2.14 21 125 1.6 16 126 1.1 11 127 0.9 9 128 0.12 1 129 0.8 8 133 0.5 5 136 1.5 15 138 0.34 3 139 8.6 86 140 3.6 36 141 1.2 12 142 0.05 1 150 0.7 7 151 1.2 12 152 1.4 14 153 0.59 6 154 43 430 155 3.7 37 156 3.4 34 157 0.05 1 163 0.7 7 164 0.5 5 165 1.9 19 166 0.07 1 167 1.6 16 168 1.2 12 169 0.6 6 170 0.31 3 179 2 20 180 0.6 6 181 1.9 19 192 0.06 1 193 1.9 19 194 3.3 33 195 38.2 382 196 0.4 4 197 0.7 7 207 8.9 89 208 1.3 13 209 0.3 3 210 0.9 9 211 1.5 15 212 1 10 218 0.07 1 219 1.2 12 221 4.9 49 222 0.7 7 230 0.08 1 232 0.7 7 233 1 10 235 2.2 22 236 0.14 1 237 2.1 21 238 0.6 6 243 0.6 6 245 0.09 1 251 0.8 8 257 0.5 5 261 0.5 5 274 0.1 1 290 0.7 7 292 2.6 26 293 0.5 5 332 0.1 1 334 0.7 7 346 1.7 17 348 99.99 999 349 1.93 19 350 2.2 22 386 2.5 25 388 1.1 11 //