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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003804

TRIS(PENTAFLUOROPHENYL)-PHOSPHINE OXIDE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
//

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