ACCESSION: MSBNK-EPA-ENTACT_AGILENT001841
RECORD_TITLE: 4-(Diethylamino)benzaldehyde; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-056r-8900000000-a5b2c6511aedfd8c2fab
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  42.033826 2.72261 27
  44.049476 3.470142 34
  51.022927 3.171317 31
  65.038577 1.001606 10
  66.046402 7.665223 76
  77.038577 66.962618 668
  78.046402 12.645702 126
  79.054227 41.405996 413
  91.054227 2.601183 25
  92.049476 1.393837 13
  93.057301 16.740931 167
  94.065126 7.503184 74
  103.054227 2.961511 29
  104.049476 1.325975 13
  105.033491 2.633692 26
  105.057301 2.980114 29
  106.065126 100 999
  118.065126 5.443431 54
  119.072951 2.038632 20
  120.080776 11.936718 119
  122.096426 2.155167 21
  134.06004 26.207439 261
  134.096426 20.067728 200
  146.096426 1.649797 16
  148.07569 1.210026 12
  148.112076 1.332435 13
//