MassBank Record: JP004540



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

ACCESSION: JP004540
RECORD_TITLE: DIBUTYL 1-(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$NAME: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONATE CH$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$INSTRUMENT_TYPE: EI-B AC$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: splash10-001c-3910000000-30e1e948970a0c173c2f PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 57 2 20 65 1 10 69 3.7 37 70 0.33 3 72 1.3 13 82 9.5 95 83 99.9 999 84 0.27 3 86 1.8 18 91 1 10 92 4.1 41 93 0.22 2 96 2.3 23 97 2.6 26 99 23.2 232 106 0.2 2 109 7.7 77 110 4.7 47 111 2.7 27 113 0.13 1 121 1.3 13 122 1.9 19 123 69.4 694 124 1.15 12 125 2.1 21 126 1.6 16 127 1.1 11 136 0.53 5 137 9.5 95 138 72.3 723 139 99.7 997 140 99.99 999 141 18.5 185 142 1 10 152 14.4 144 153 0.14 1 155 15.5 155 164 1.1 11 165 1.8 18 179 0.64 6 192 1.7 17 194 23.6 236 195 2.3 23 201 0.14 1 203 2 20 204 37.6 376 205 2 20 206 0.37 4 208 1.6 16 211 7.9 79 221 11.4 114 222 5.72 57 223 2.9 29 248 2.3 23 260 5.6 56 264 0.12 1 277 2.2 22 278 10.8 108 279 1 10 333 0.15 2 334 15.9 159 335 2 20 //