MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003803
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003803
RECORD_TITLE: TRIS(PENTAFLUOROPHENYL)-PHOSPHINE SULFIDE; 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$NAME: TRIS(PENTAFLUOROPHENYL)-PHOSPHINE SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18F15PS
CH$EXACT_MASS: 563.92188
CH$SMILES: Fc(c(F)3)c(F)c(F)c(c(F)3)P(=S)(c(c(F)2)c(F)c(F)c(F)c(F)2)c(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C18F15PS/c19-1-4(22)10(28)16(11(29)5(1)23)34(35,17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33
CH$LINK: INCHIKEY
ZKXAGCHSURXSAS-UHFFFAOYSA-N
AC$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-6985010000-8c315731a78daee28f13
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
69 99 990
74 2.1 21
79 10.3 103
86 0.33 3
91 2.4 24
93 25 250
98 16.2 162
110 0.2 2
117 65 650
118 4.4 44
129 60 600
130 0.44 4
141 5.1 51
148 14.5 145
155 6.1 61
158 0.25 3
165 5 50
167 16 160
168 2.7 27
177 0.29 3
179 9.2 92
180 4.1 41
189 5.2 52
196 0.46 5
198 16 160
199 6 60
203 3.2 32
208 0.36 4
215 3.7 37
217 41 410
218 3.6 36
227 0.35 4
228 4.6 46
234 3.9 39
241 4 40
246 1.25 13
258 19 190
259 4.1 41
265 18 180
266 0.24 2
277 22 220
278 5.1 51
296 66 660
297 0.09 1
315 9.9 99
327 4.1 41
334 2.6 26
346 0.66 7
365 99.99 999
366 14.2 142
375 4.4 44
403 0.28 3
413 3.9 39
513 5.5 55
514 3 30
532 0.75 8
533 16 160
564 7.5 75
565 2.2 22
//
system version 2.2.6-SNAPSHOT