ACCESSION: MSBNK-EPA-ENTACT_AGILENT001050
RECORD_TITLE: 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
CH$NAME: DTXSID4027604
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₉NO₄
CH$EXACT_MASS: 313.1314081027
CH$SMILES: CCN(CC)C1=CC(O)=C(C=C1)C(=O)C1C=CC=CC=1C(O)=O
CH$IUPAC: InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)
CH$LINK: CAS 5809-23-4
CH$LINK: INCHIKEY FQNKTJPBXAZUGC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:79878

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 314.1386845544
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00kb-0942000000-f25e7723e961ac6fa2e6
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  93.033491 1.266669 12
  110.06004 1.869602 18
  120.080776 2.034708 20
  121.028406 1.623291 16
  122.06004 1.2751 12
  137.083515 3.702273 36
  138.09134 45.482321 454
  149.02332 100.000003 999
  149.068259 2.320687 23
  149.083515 1.395384 13
  164.070605 1.279412 12
  166.122641 99.306348 992
  224.070605 1.784078 17
  239.09408 3.151512 31
  240.06552 1.649153 16
  240.101905 21.582507 215
  250.086255 4.789219 47
  252.06552 3.468954 34
  266.08117 3.908395 39
  267.088995 9.690456 96
  268.09682 29.666966 296
  270.076084 2.363237 23
  284.091734 1.146411 11
  285.099559 15.303422 152
  286.107384 2.65008 26
  296.12812 41.898827 418
  314.138685 69.220853 691
//