MassBank Record: JP004545



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

ACCESSION: JP004545
RECORD_TITLE: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)BUTYLPHOSPHONATE; EI-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$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-2910000000-625c9284d51e614b4288 PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 55 1.6 16 57 1.1 11 69 1.1 11 82 0.41 4 83 56.5 565 84 3.4 34 86 2.2 22 96 0.13 1 97 1.4 14 98 1.3 13 99 5.9 59 106 0.1 1 109 3.7 37 110 4.3 43 111 1.5 15 114 0.49 5 122 1.4 14 123 17.8 178 124 1.2 12 126 1.79 18 136 2.2 22 137 5.5 55 138 44.7 447 139 99.99 999 140 7.8 78 141 1 10 149 2.3 23 150 0.17 2 151 1.8 18 152 3.5 35 155 4.4 44 164 0.15 2 165 1.1 11 166 3.4 34 167 1.2 12 168 2.25 23 169 3.3 33 179 2.9 29 180 2.8 28 189 0.12 1 194 10.6 106 195 2.1 21 206 3.5 35 207 0.86 9 208 7.7 77 211 3.2 32 220 3.4 34 232 0.85 9 249 1.3 13 250 12.2 122 263 1.1 11 264 0.37 4 288 1.7 17 306 3.3 33 319 1.7 17 332 0.06 1 361 0.6 6 362 0.8 8 //