ACCESSION: MSBNK-NILU-NL0022
RECORD_TITLE: F3; GC-EI-FT; MS; Positive
DATE: 2024.08.05
AUTHORS: MILK, NILU
LICENSE: CC BY
COPYRIGHT: MILK, NILU

CH$NAME: F3
CH$NAME: 2,4,6-Trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)cyclotrisiloxane
CH$COMPOUND_CLASS: Non-Natural Product; Siloxane
CH$FORMULA: C₁₂H₂₁F₉O₃Si₃
CH$EXACT_MASS: 468.06548
CH$SMILES: C[Si]1(O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)CCC(F)(F)F
CH$IUPAC: InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3

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 1189.636

MS$FOCUSED_ION: BASE_PEAK 158.9903

PK$SPLASH: splash10-0a4i-5910000000-45670e03a4b2fa96157c
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  55.01789 1824497 4
  59.02916 53734980 104
  61.01044 2315904 4
  63.0061 9977203 19
  68.99468 1959237 4
  75.02606 72220672 139
  77.02173 177825552 343
  78.02755 94093720 182
  80.99669 227227344 438
  81.99625 14599395 28
  89.02176 16411862 32
  92.99673 3382746 7
  99.00729 18081972 35
  109.02798 77409616 149
  113.00292 19484722 38
  115.00105 14890020 29
  117.01665 43875472 85
  120.99161 720113 1
  128.94345 4573104 9
  130.95915 5713060 11
  133.01158 3004269 6
  135.02722 9031527 17
  137.02284 253953104 490
  139.01974 9724814 19
  140.96341 17727888 34
  154.99901 16049052 31
  156.99464 47067792 91
  158.99028 517695136 999
  159.98987 56505492 109
  161.96918 3496870 7
  166.94466 8638522 17
  170.91956 7854073 15
  175.00522 4620912 9
  177.00087 17619026 34
  180.96027 7549662 15
  184.93521 8469942 16
  194.94614 347711 1
  196.97141 7818984 15
  198.95084 22525172 43
  200.94633 6943214 13
  202.92574 3807762 7
  212.98648 5068481 10
  214.98199 124293872 240
  216.97906 11860623 23
  218.95706 44199120 85
  222.93199 8914729 17
  232.95291 290059 1
  236.96768 9285646 18
  237.98363 24508530 47
  240.95901 9560016 18
  244.9341 610147 1
//