ACCESSION: MSBNK-EPA-ENTACT_AGILENT001052
RECORD_TITLE: 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00di-0290000000-7887f126f7aeb6cd8aae
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  77.039674 5.117767 51
  120.045487 7.421254 74
  121.029503 13.315159 133
  135.068962 2.3879 23
  164.108088 1.76255 17
  196.076788 2.162343 21
  206.061137 4.112363 41
  210.056052 1.263811 12
  221.084613 1.303507 13
  223.076453 1.408141 14
  224.071702 99.999998 999
  224.129217 4.915764 49
  225.070974 1.250099 12
  238.087352 6.066701 60
  240.103002 1.101562 11
//