ACCESSION: MSBNK-NILU-NL0023
RECORD_TITLE: F4; GC-EI-FT; MS; Positive
DATE: 2024.08.05
AUTHORS: MILK, NILU
LICENSE: CC BY
COPYRIGHT: MILK, NILU

CH$NAME: F4
CH$NAME: 1,3,5,7-Tetrakis(3,3,3-trifluoropropyl)-1,3,5,7-tetramethylcyclotetrasiloxane
CH$COMPOUND_CLASS: Non-Natural Product; Siloxane
CH$FORMULA: C₁₆H₂₈F₁₂O₄Si₄
CH$EXACT_MASS: 624.08730
CH$SMILES: C[Si]1(O[Si](O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)(C)CCC(F)(F)F)CCC(F)(F)F
CH$IUPAC: InChI=1S/C16H28F12O4Si4/c1-33(9-5-13(17,18)19)29-34(2,10-6-14(20,21)22)31-36(4,12-8-16(26,27)28)32-35(3,30-33)11-7-15(23,24)25/h5-12H2,1-4H3

AC$INSTRUMENT: Thermo Scientific Q Exactive GC Hybrid Quadrupol-Orbitrap
AC$INSTRUMENT_TYPE: GC-EI-FT
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: KOVATS_RTI 1395.229

MS$FOCUSED_ION: BASE_PEAK 137.0228

PK$SPLASH: splash10-055r-5920000000-dee600d7b8b119789119
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  55.01788 388771 2
  57.01352 1363788 6
  63.00608 3256942 15
  73.04682 2528032 12
  75.02607 16925984 80
  77.02168 96513976 454
  79.00095 38179420 179
  80.99667 126385584 594
  82.99349 5631430 26
  89.02174 4492140 21
  91.00104 836593 4
  99.00726 9682570 46
  109.00285 1017906 5
  113.00289 6145163 29
  115.00101 4018833 19
  122.97281 372481 2
  130.95912 1535365 7
  135.02718 7741910 36
  137.02281 212492416 999
  138.02243 21765596 102
  139.01971 8985335 42
  140.99779 5998183 28
  144.97469 821199 4
  153.01781 307027 1
  156.99466 11760581 55
  158.99022 145366592 683
  159.98985 19433102 91
  162.96515 9417347 44
  167.01535 1762757 8
  175.00523 996137 5
  177.00085 5796660 27
  192.98019 2907213 14
  196.95512 3240969 15
  200.96638 1358982 6
  204.94121 586968 3
  211.00717 339600 2
  214.98195 50626256 238
  218.95697 33178534 156
  226.98195 270732 1
  236.96762 6468172 30
  254.99461 8884557 42
  276.94458 4342500 20
  288.91962 531917 3
  296.95068 2227573 10
//