ACCESSION: MSBNK-EPA-ENTACT_AGILENT001840
RECORD_TITLE: 4-(Diethylamino)benzaldehyde; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-(Diethylamino)benzaldehyde
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₅NO
CH$EXACT_MASS: 177.1153641082
CH$SMILES: CCN(CC)C1C=CC(C=O)=CC=1
CH$IUPAC: InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
CH$LINK: CAS 120-21-8
CH$LINK: INCHIKEY MNFZZNNFORDXSV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67114

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$FOCUSED_ION: PRECURSOR_M/Z 178.1226405599
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0kjj-0900000000-27cc4730965bb959ee9a
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  44.049476 5.928674 59
  56.049476 1.124501 11
  70.065126 1.468652 14
  72.080776 1.276259 12
  77.038577 1.731035 17
  78.046402 1.143631 11
  79.054227 12.860103 128
  83.085527 2.430509 24
  92.062052 1.491923 14
  93.057301 9.485927 94
  94.065126 17.411069 173
  101.002191 8.737461 87
  103.054227 4.662563 46
  105.069877 4.598888 45
  106.065126 75.976284 759
  118.065126 7.578987 75
  120.080776 33.986245 339
  121.052215 3.063162 30
  121.088601 30.140859 301
  122.096426 43.833885 437
  134.06004 69.067948 689
  134.096426 57.205973 571
  135.067865 2.837469 28
  146.096426 2.30958 23
  148.07569 1.706854 17
  148.112076 68.517815 684
  149.083515 5.683967 56
  149.119901 3.621714 36
  150.09134 4.023072 40
  150.127726 76.381097 763
  162.09134 1.378659 13
  163.099165 8.095681 80
  178.122641 99.999996 999
//