ACCESSION: MSBNK-NILU-NL0068
RECORD_TITLE: Bis(4-isopropylphenyl) phenyl phosphate; GC-EI-FT; MS; Positive
DATE: 2024.08.05
AUTHORS: MILK, NILU
LICENSE: CC BY
COPYRIGHT: MILK, NILU

CH$NAME: Bis(4-isopropylphenyl) phenyl phosphate
CH$NAME: Phosphoric acid, bis(4-(1-methylethyl)phenyl) phenyl ester
CH$COMPOUND_CLASS: Non-Natural Product; Organophosphate
CH$FORMULA: C₂₄H₂₇O₄P
CH$EXACT_MASS: 410.164696
CH$SMILES: CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)C(C)C
CH$IUPAC: InChI=1S/C24H27O4P/c1-18(2)20-10-14-23(15-11-20)27-29(25,26-22-8-6-5-7-9-22)28-24-16-12-21(13-17-24)19(3)4/h5-19H,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 2913

MS$FOCUSED_ION: BASE_PEAK 395.1406

PK$SPLASH: splash10-002b-1924100000-0419776d72606d8640ed
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  65.0386 136612 28
  77.0386 873341 179
  79.0543 239071 49
  90.0465 87822 18
  91.0543 1273419 261
  93.07 156128 32
  94.0414 73185 15
  102.0465 92701 19
  103.0543 722092 148
  105.0448 68306 14
  105.07 297619 61
  107.0492 263466 54
  107.0857 180523 37
  115.0543 639149 131
  116.0578 53669 11
  117.0699 541569 111
  118.0737 53669 11
  118.0777 722092 148
  119.0493 195160 40
  119.0812 78064 16
  119.0857 78064 16
  120.0571 107338 22
  121.0648 717213 147
  122.0683 63427 13
  133.0649 102459 21
  135.0805 278103 57
  138.9944 97580 20
  149.0152 541569 111
  152.062 448868 92
  153.0698 209797 43
  155.0854 78064 16
  165.01 214676 44
  165.0698 287861 59
  166.0179 68306 14
  167.0257 692818 142
  167.0855 92701 19
  168.0291 63427 13
  169.0647 131733 27
  169.1012 102459 21
  175.0155 92701 19
  177.0698 92701 19
  178.0776 1410031 289
  179.0257 107338 22
  179.081 204918 42
  179.0854 302498 62
  181.0648 141491 29
  183.0206 287861 59
  183.0804 53669 11
  183.117 48790 10
  189.0698 58548 12
  190.0583 1244145 255
  190.0777 53669 11
  191.0855 131733 27
  192.0933 68306 14
  194.0726 73185 15
  195.0804 102459 21
  197.0961 102459 21
  201.0311 151249 31
  211.1119 58548 12
  211.148 107338 22
  215.0256 468384 96
  221.1326 63427 13
  239.0856 126854 26
  249.0311 126854 26
  251.0467 546448 112
  252.0502 68306 14
  253.1013 73185 15
  259.052 78064 16
  277.0625 819672 168
  292.0863 82943 17
  293.0938 126854 26
  353.0935 200039 41
  367.1093 234192 48
  368.1129 53669 11
  395.1406 4874121 999
  396.1442 1209992 248
  397.1469 170765 35
  409.1565 165886 34
  410.1643 1502732 308
  411.1677 375683 77
//