MassBank Record: JP004547



 DIBUTYL 3-METHYL-1-(N-TRIFLUOROACETYLAMINO)BUTYLPHOSPHONATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004547
RECORD_TITLE: DIBUTYL 3-METHYL-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$NAME: DIBUTYL 3-METHYL-1-(N-TRIFLUOROACETYLAMINO)BUTYLPHOSPHONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H29F3NO4P CH$EXACT_MASS: 375.17863 CH$SMILES: CCCCOP(=O)(OCCCC)C(CC(C)C)NC(=O)C(F)(F)F CH$IUPAC: InChI=1S/C15H29F3NO4P/c1-5-7-9-22-24(21,23-10-8-6-2)13(11-12(3)4)19-14(20)15(16,17)18/h12-13H,5-11H2,1-4H3,(H,19,20) CH$LINK: INCHIKEY XOWFAIAZFLPNQE-UHFFFAOYSA-N
AC$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-2920000000-c7ca2b7793092f3e08e3 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 69 5.2 52 82 3.4 34 83 55.5 555 96 0.18 2 97 1.4 14 99 4.4 44 106 1.4 14 109 0.4 4 110 4.9 49 111 1.4 14 114 2.4 24 122 0.28 3 123 20.1 201 124 1.6 16 126 3.9 39 137 0.34 3 138 54.4 544 139 99.99 999 140 25.5 255 141 0.18 2 150 6.4 64 151 2.5 25 152 1 10 155 0.37 4 164 1.9 19 165 3 30 166 7.6 76 178 0.15 2 179 3.8 38 180 5.6 56 181 1.1 11 182 1.23 12 183 2 20 189 1.7 17 194 15.6 156 195 0.39 4 202 1.2 12 206 3.8 38 207 16.7 167 208 1.67 17 211 3.6 36 220 6.9 69 246 8.8 88 248 0.33 3 263 3.3 33 264 21.4 214 265 1.8 18 276 0.2 2 302 2.4 24 304 1 10 319 6.6 66 320 0.4 4 332 3.5 35 370 0.5 5 375 0.5 5 376 2.8 28 //