ACCESSION: MSBNK-NILU-NL0017
RECORD_TITLE: Octamethylcyclotetrasiloxane (D4); GC-EI-FT; MS; Positive
DATE: 2024.08.05
AUTHORS: MILK, NILU
LICENSE: CC BY
COPYRIGHT: MILK, NILU

CH$NAME: D4
CH$NAME: Octamethylcyclotetrasiloxane
CH$COMPOUND_CLASS: Non-Natural Product; Cyclosiloxane
CH$FORMULA: C₈H₂₄O₄Si₄
CH$EXACT_MASS: 296.07517
CH$SMILES: C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C
CH$IUPAC: InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3

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 970.8408

MS$FOCUSED_ION: BASE_PEAK 229.0014

PK$SPLASH: splash10-001i-0290000000-f0bd3f7ca733bc656d46
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  55.05426 137566 3
  59.03117 379000 8
  61.01043 61350 1
  67.05422 341394 7
  69.06988 122305 3
  73.04678 7909861 171
  74.04637 483279 10
  75.02609 405573 9
  77.03857 249628 5
  79.05423 405376 9
  81.0699 292247 6
  83.08553 83657 2
  91.05426 480494 10
  95.08555 139093 3
  102.9666 61295 1
  105.06991 154201 3
  115.00301 266265 6
  117.01864 275257 6
  118.99792 882325 19
  119.99748 86526 2
  120.97714 72454 2
  123.11683 27907 1
  125.99632 78659 2
  129.06984 115329 2
  133.0135 3056329 66
  134.00316 538342 12
  134.99277 156806 3
  137.00844 296395 6
  139.11191 6177 0
  142.0188 870178 19
  145.04988 99717 2
  146.93837 183280 4
  149.0448 196876 4
  151.02405 976080 21
  153.0033 89057 2
  160.95395 145036 3
  162.96962 1255152 27
  163.96918 218972 5
  164.98529 1133665 25
  165.98488 179825 4
  174.96959 53616 1
  175.97745 396197 9
  177.98483 462130 10
  179.00089 1931519 42
  180.00047 322575 7
  181.97974 86183 2
  187.00606 22470 0
  188.98526 459392 10
  191.00079 10764353 233
  192.00043 1680360 36
  192.9801 7297056 158
  193.97975 1176710 25
  194.99583 1198998 26
  195.99542 193190 4
  196.97516 300087 6
  201.02161 66298 1
  205.01651 4003138 87
  206.0161 660108 14
  207.03214 6165574 133
  208.03177 1002786 22
  209.01143 3797731 82
  210.99071 2174520 47
  212.9875 259763 6
  217.01665 39178 1
  220.95711 890755 19
  223.02715 1000614 22
  224.02667 188140 4
  225.04277 1432911 31
  229.00136 310646 7
  233.96497 146194 3
  236.96951 219215 5
  238.9677 221424 5
  241.03778 7785 0
  248.9883 12287444 266
  250.98517 1847408 40
  252.98335 424545 9
  264.93875 19560 0
  265.01962 17096400 370
  266.99905 3784477 82
  267.9986 788061 17
  268.99579 558222 12
  281.05072 46148388 999
  282.05051 9279461 201
  285.04477 427505 9
  299.06146 3326058 72
//