MassBank Record: JP002727



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

ACCESSION: JP002727
RECORD_TITLE: BUTYL N-TRIFLUOROACETYL 1-AMINOBUTYLPHOSPHONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL N-TRIFLUOROACETYL 1-AMINOBUTYLPHOSPHONATE CH$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)
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$SPLASH: splash10-0019-4910000000-9728f40f1630ac7c2678 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 55 8.3 83 56 5.9 59 57 4.9 49 65 1.4 14 69 5.4 54 70 2 20 72 1.3 13 78 0.15 2 82 6.2 62 83 69.4 694 96 2.6 26 97 0.17 2 98 2.7 27 99 6 60 106 1.2 12 109 0.45 5 110 3.9 39 111 1.3 13 114 5.1 51 122 0.21 2 123 17 170 124 1.5 15 126 22.5 225 127 0.1 1 134 1.2 12 136 3.1 31 137 6.9 69 138 4.41 44 139 99.99 999 140 8.3 83 141 1.1 11 149 0.17 2 150 4.4 44 151 2.8 28 152 5.7 57 154 0.1 1 155 3.8 38 164 1.7 17 165 1.5 15 166 0.39 4 167 2.2 22 168 24.7 247 169 3.7 37 179 0.32 3 180 3.4 34 189 3.2 32 194 9.7 97 195 0.18 2 202 1 10 206 3.8 38 207 9.1 91 208 0.69 7 211 2.9 29 220 3.7 37 232 9.5 95 249 0.13 1 250 11.3 113 264 3.5 35 288 1.7 17 306 0.22 2 319 1.4 14 361 0.4 4 362 0.2 2 //