MassBank Record: JP002728



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

ACCESSION: JP002728
RECORD_TITLE: BUTYL N-TRIFLUOROACETYL 1-AMINOETHYL PHOSPHONATE; 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$NAME: BUTYL N-TRIFLUOROACETYL 1-AMINOETHYL PHOSPHONATE CH$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)
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$SPLASH: splash10-0019-4930000000-97d483dd9210741df1fc PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 55 2 20 56 4.8 48 57 6.8 68 65 1.8 18 69 7 70 70 5.3 53 72 1.4 14 81 0.12 1 82 8.4 84 83 81.9 819 91 1.2 12 92 0.47 5 93 1.7 17 96 2.4 24 97 2.1 21 99 1.66 17 106 1.6 16 108 1.6 16 109 6.5 65 110 0.31 3 111 1.9 19 121 1.2 12 122 1.9 19 123 5.14 51 124 8.3 83 125 1.6 16 126 1.4 14 136 0.41 4 137 8 80 138 50.2 502 139 99.99 999 140 9.07 91 141 14.8 148 152 12.3 123 153 1.2 12 155 1.06 11 165 1.6 16 179 4.8 48 192 1.4 14 194 1.79 18 195 1.8 18 203 1.8 18 204 27.8 278 205 0.14 1 206 3.1 31 208 1.3 13 211 5.8 58 221 0.82 8 222 40 400 223 2 20 248 1.7 17 260 0.39 4 264 1.3 13 277 1.4 14 278 6.4 64 333 0.09 1 334 1.5 15 335 0.2 2 //