MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003804
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003804
RECORD_TITLE: TRIS(PENTAFLUOROPHENYL)-PHOSPHINE OXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: TRIS(PENTAFLUOROPHENYL)-PHOSPHINE OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18F15OP
CH$EXACT_MASS: 547.94472
CH$SMILES: Fc(c(F)3)c(F)c(F)c(c(F)3)P(=O)(c(c(F)2)c(F)c(F)c(F)c(F)2)c(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C18F15OP/c19-1-4(22)10(28)16(11(29)5(1)23)35(34,17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33
CH$LINK: INCHIKEY
VDVWCGGZSOUZCE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40304993
AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-014i-4944010000-119c8086bfea3b780bb5
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
47 14.2 142
69 45.1 451
74 2.1 21
79 0.5 5
86 3.8 38
93 24.1 241
98 11.2 112
105 0.34 3
110 5.8 58
117 99.99 999
118 6 60
129 2.05 21
136 5.2 52
145 2.8 28
148 22.1 221
155 2.97 30
164 14.5 145
165 3.9 39
167 35.2 352
183 3.47 35
184 2.7 27
196 3.8 38
198 1.4 14
205 0.22 2
214 2.5 25
215 5.2 52
217 21.5 215
227 1.22 12
234 6 60
245 7.3 73
258 5.1 51
265 3.79 38
266 4.8 48
277 7.1 71
296 46.8 468
297 0.63 6
312 7.4 74
315 2.2 22
331 4.8 48
334 0.43 4
346 1 10
362 1.5 15
365 92 920
366 0.13 1
381 7.8 78
400 1.5 15
529 2.1 21
532 0.05 1
548 36.5 365
549 7 70
//