MassBank Record: JP004546



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

ACCESSION: JP004546
RECORD_TITLE: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)BUTYLPHOSPHONATE; 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$NAME: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)BUTYLPHOSPHONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H27F3NO4P CH$EXACT_MASS: 361.16298 CH$SMILES: CCCCOP(=O)(OCCCC)C(CCC)NC(=O)C(F)(F)F CH$IUPAC: InChI=1S/C14H27F3NO4P/c1-4-7-10-21-23(20,22-11-8-5-2)12(9-6-3)18-13(19)14(15,16)17/h12H,4-11H2,1-3H3,(H,18,19) CH$LINK: INCHIKEY HFNKBZCZJNNGKI-UHFFFAOYSA-N
AC$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: splash10-03di-3938000000-d36fb102c9c64b31488d PK$NUM_PEAK: 105 PK$PEAK: m/z int. rel.int. 67 4.5 45 68 1.2 12 71 4 40 72 1.62 16 73 12.6 126 79 0.6 6 83 1.9 19 84 0.24 2 85 8.3 83 86 0.7 7 87 0.7 7 93 0.08 1 94 0.6 6 95 3.7 37 96 0.6 6 98 0.05 1 100 1.1 11 101 1.1 11 102 0.6 6 108 0.07 1 109 0.7 7 110 1 10 112 1.1 11 114 1.53 15 124 0.5 5 126 1.3 13 127 1.2 12 128 0.17 2 129 1.1 11 131 0.5 5 137 0.9 9 138 0.23 2 139 5.9 59 140 5.4 54 141 1.2 12 142 0.07 1 148 0.5 5 149 0.5 5 150 1.6 16 151 0.09 1 152 3.5 35 153 1.9 19 154 1.4 14 156 0.05 1 157 0.5 5 163 0.8 8 165 1.6 16 166 0.13 1 167 2.8 28 168 30.6 306 169 3.3 33 170 0.37 4 177 0.5 5 179 1.9 19 180 0.9 9 181 0.06 1 182 0.8 8 184 1.9 19 193 1.9 19 194 0.13 1 195 32.1 321 196 3.2 32 197 0.6 6 207 0.06 1 208 1.3 13 209 2.5 25 210 1.1 11 212 0.05 1 219 1.1 11 221 19.5 195 222 2.9 29 223 0.15 2 224 1 10 225 0.7 7 226 0.7 7 227 0.05 1 230 0.6 6 231 0.7 7 232 1 10 233 0.07 1 234 0.7 7 235 1.8 18 237 0.5 5 243 0.06 1 245 0.5 5 246 0.6 6 249 1.2 12 250 0.08 1 251 1.5 15 252 0.5 5 259 0.5 5 264 0.5 5 267 0.05 1 288 0.9 9 304 0.7 7 306 1.7 17 346 0.05 1 348 0.8 8 360 2 20 362 99.99 999 363 1.51 15 364 2.4 24 400 2.3 23 402 0.7 7 419 0.05 1 //