ACCESSION: MSBNK-EPA-ENTACT_AGILENT001051
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 312.124131651
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0190000000-68d5a5a1e79824f015de
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  121.029503 1.322607 13
  164.108088 14.568607 145
  224.071702 21.377621 213
  239.095177 5.306923 53
  240.103002 2.657279 26
  250.123738 3.288986 32
  268.134302 99.999998 999
//