ACCESSION: MSBNK-NILU-NL0070
RECORD_TITLE: Butyl diphenyl phosphate; GC-EI-FT; MS; Positive
DATE: 2024.08.05
AUTHORS: MILK, NILU
LICENSE: CC BY
COPYRIGHT: MILK, NILU

CH$NAME: Butyl diphenyl phosphate
CH$NAME: Phosphoric acid, butyl diphenyl ester
CH$COMPOUND_CLASS: Non-Natural Product; Organophosphate
CH$FORMULA: C₁₆H₁₉O₄P
CH$EXACT_MASS: 306.102097
CH$SMILES: CCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
CH$IUPAC: InChI=1S/C16H19O4P/c1-2-3-14-18-21(17,19-15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3

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 2120

MS$FOCUSED_ION: BASE_PEAK 249.0311

PK$SPLASH: splash10-0udm-4690000000-4512606b27cafdf79800
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  51.023 746044 13
  65.0386 3730220 65
  66.0464 5164920 90
  77.0386 15265208 266
  78.042 1032984 18
  93.0336 860820 15
  94.0414 48665024 848
  95.0448 3156340 55
  95.0492 1721640 30
  100.0074 975596 17
  104.0621 975596 17
  105.0449 1147760 20
  107.0492 860820 15
  115.0544 3959772 69
  117.07 8263872 144
  128.0621 918208 16
  129.01 746044 13
  132.0934 1319924 23
  138.9944 3959772 69
  140.0022 2926788 51
  141.01 1147760 20
  141.0699 8091708 141
  142.0733 860820 15
  142.0779 3902384 68
  151.0543 1549476 27
  152.0621 7345664 128
  153.0655 746044 13
  155.9971 1836416 32
  157.0049 1549476 27
  165.01 516492 9
  165.0698 2352908 41
  168.0569 8091708 141
  169.0647 24102960 420
  170.0681 3385892 59
  170.0725 34604964 603
  171.076 4476264 78
  174.0075 1319924 23
  175.0154 2926788 51
  179.0854 516492 9
  183.0205 688656 12
  183.0806 516492 9
  215.0256 4246712 74
  216.029 573880 10
  232.0285 11362824 198
  233.0316 918208 16
  233.0364 2295520 40
  249.0311 57330612 999
  250.0393 42065404 733
  251.0467 50214500 875
  263.0469 4591040 80
  277.0625 2582460 45
  305.0939 918208 16
  306.1017 5738800 100
  307.105 975596 17
//