ACCESSION: MSBNK-EPA-ENTACT_AGILENT001991
RECORD_TITLE: 4-(Diethylamino)salicylaldehyde; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-(Diethylamino)salicylaldehyde
CH$NAME: DTXSID5022271
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₅NO₂
CH$EXACT_MASS: 193.1102787305
CH$SMILES: CCN(CC)C1C=C(O)C(C=O)=CC=1
CH$IUPAC: InChI=1S/C11H15NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-8,14H,3-4H2,1-2H3
CH$LINK: CAS 17754-90-4
CH$LINK: INCHIKEY XFVZSRRZZNLWBW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:87293

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 192.1030022788
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0900000000-8c99681bab81d047e6f4
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  59.013853 1.053177 10
  120.045487 8.596783 85
  135.068962 13.81389 138
  136.076788 1.494038 14
  148.040402 7.380645 73
  163.063877 3.437858 34
  164.071702 1.975933 19
  164.108088 40.499391 404
  192.103002 99.999997 999
//