MassBank Record: JP004557



 DIBUTYL 2-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004557
RECORD_TITLE: DIBUTYL 2-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONATE; 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$NAME: DIBUTYL 2-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H23F3NO4P CH$EXACT_MASS: 333.13168 CH$SMILES: CCCCOP(=O)(OCCCC)CCNC(=O)C(F)(F)F CH$IUPAC: InChI=1S/C12H23F3NO4P/c1-3-5-8-19-21(18,20-9-6-4-2)10-7-16-11(17)12(13,14)15/h3-10H2,1-2H3,(H,16,17) CH$LINK: INCHIKEY ICWBNDWAEAJFRR-UHFFFAOYSA-N
AC$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: splash10-0zmi-1790000000-c336a3bffa3bb11d08db PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 80 3.3 33 81 2.4 24 82 1.8 18 83 1.23 12 84 1.4 14 85 6.4 64 87 1.1 11 90 0.11 1 91 3.5 35 96 3.5 35 97 6.8 68 106 0.62 6 107 1.2 12 108 32.8 328 109 22.3 223 110 0.29 3 111 2.3 23 114 1 10 120 1 10 123 0.31 3 124 1.6 16 126 2.6 26 134 2.8 28 135 0.16 2 136 3.1 31 137 1.8 18 138 4 40 139 0.82 8 140 7.5 75 141 1.4 14 149 1 10 150 0.13 1 152 81.8 818 153 5.4 54 154 2.6 26 185 0.12 1 192 1.1 11 204 56.5 565 205 2.7 27 206 0.1 1 208 15.1 151 209 1.4 14 220 1.2 12 221 0.36 4 222 99.99 999 223 4.7 47 248 2.5 25 250 0.12 1 260 5.8 58 264 24.4 244 265 3 30 278 2.46 25 279 2.3 23 304 0.5 5 334 1.2 12 //