MassBank Record: JP004543



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

ACCESSION: JP004543
RECORD_TITLE: DIBUTYL 2-(N-TRIFLUOROACETYL-N-METHYLAMINO)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$NAME: DIBUTYL 2-(N-TRIFLUOROACETYL-N-METHYLAMINO)ETHYLPHOSPHONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H25F3NO4P CH$EXACT_MASS: 347.14733 CH$SMILES: CCCCOP(=O)(OCCCC)CCN(C)C(=O)C(F)(F)F CH$IUPAC: InChI=1S/C13H25F3NO4P/c1-4-6-9-20-22(19,21-10-7-5-2)11-8-17(3)12(18)13(14,15)16/h4-11H2,1-3H3 CH$LINK: INCHIKEY ZXYLUWVQGVTPHW-UHFFFAOYSA-N
AC$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: splash10-0fe0-0940000000-c5a6051b252ffd3ad642 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 69 1.2 12 81 1.1 11 82 2.9 29 83 1.73 17 91 2.5 25 92 1.6 16 93 1.1 11 94 0.54 5 96 1.8 18 97 2.6 26 104 3.9 39 106 0.1 1 109 14.4 144 110 16.7 167 111 12.5 125 112 0.14 1 120 24 240 121 1.6 16 122 46.9 469 123 0.83 8 124 1.4 14 136 1.3 13 137 4.9 49 138 99.99 999 139 23.7 237 140 17.6 176 148 2.2 22 150 0.26 3 152 2.8 28 153 6.3 63 154 21.5 215 155 0.16 2 165 1 10 166 4.2 42 167 4 40 168 0.18 2 176 2.3 23 178 3.6 36 193 4.3 43 194 5.11 51 195 4.3 43 196 1.1 11 199 1.1 11 216 0.18 2 218 42.2 422 219 2.6 26 235 14.5 145 236 3.61 36 237 2.2 22 250 79.5 795 251 9.9 99 252 0.12 1 262 2.4 24 274 7.1 71 291 5.8 58 292 1.96 20 293 2 20 347 10.2 102 348 5.1 51 349 0.7 7 //