MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004542
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004542
RECORD_TITLE: 2-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONICACID DIBUTYL ESTER; CI-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$NAME: 2-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONICACID DIBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H23F3NO4P
CH$EXACT_MASS: 333.13168
CH$SMILES: CCCCOP(=O)(OCCCC)CCNC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C12H23F3NO4P/c1-3-5-8-19-21(18,20-9-6-4-2)10-7-16-11(17)12(13,14)15/h3-10H2,1-2H3,(H,16,17)
CH$LINK: INCHIKEY
ICWBNDWAEAJFRR-UHFFFAOYSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 500 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-001i-1329000000-1afeb9293f0e1cb22153
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
67 1.1 11
70 1.4 14
71 4.2 42
72 0.08 1
73 2 20
83 2.4 24
96 0.5 5
97 0.11 1
98 0.5 5
99 1 10
100 0.8 8
101 0.08 1
109 0.8 8
111 1.4 14
112 0.6 6
114 2.09 21
115 0.9 9
117 0.5 5
122 0.8 8
123 0.09 1
125 0.6 6
137 1.1 11
138 0.5 5
139 0.25 3
140 1.5 15
141 0.5 5
142 5.4 54
151 0.07 1
152 2.1 21
153 1 10
155 0.5 5
156 0.23 2
158 0.6 6
165 1.2 12
167 1.6 16
179 0.1 1
181 0.9 9
193 10.2 102
194 1.1 11
195 2.06 21
196 2.3 23
197 0.5 5
201 0.9 9
203 0.1 1
204 2.2 22
207 0.6 6
209 1.2 12
211 0.05 1
213 0.6 6
215 0.6 6
217 0.7 7
220 0.06 1
221 11.2 112
222 3.6 36
223 1 10
233 0.11 1
245 0.5 5
248 0.5 5
254 0.8 8
260 0.11 1
264 1.8 18
266 0.8 8
278 2.7 27
306 0.08 1
318 0.7 7
332 1.4 14
334 99.99 999
335 1.3 13
336 2 20
372 1.7 17
373 0.5 5
374 0.6 6
//