ACCESSION: MSBNK-EPA-ENTACT_AGILENT001993
RECORD_TITLE: 4-(Diethylamino)salicylaldehyde; ESI-QTOF; MS2; CE: 20; [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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 194.1175551822
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0900000000-7317ced1dfc7a0faf274
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  44.049476 1.271306 12
  58.065126 2.95203 29
  70.065126 1.630191 16
  72.080776 3.91127 39
  77.038577 1.890251 18
  79.054227 2.15246 21
  91.054227 2.838533 28
  93.069877 1.007723 10
  95.049141 1.445316 14
  103.054227 1.248059 12
  105.069877 1.19366 11
  107.049141 1.599662 15
  109.052215 1.23047 12
  110.06004 2.818483 28
  116.070605 1.110978 11
  118.065126 1.593391 15
  119.072951 1.505247 15
  120.080776 3.18736 31
  122.06004 7.634148 76
  132.080776 1.433813 14
  133.088601 2.485255 24
  135.044056 6.467502 64
  136.07569 4.104422 41
  137.083515 7.688469 76
  138.09134 10.021356 100
  147.067865 1.18841 11
  148.07569 1.382823 13
  148.112076 3.377735 33
  150.054955 16.066089 160
  150.09134 6.568453 65
  161.083515 1.749434 17
  164.10699 5.844337 58
  165.07843 2.839969 28
  166.086255 3.688541 36
  166.122641 20.879161 208
  176.10699 4.994072 49
  178.086255 1.133861 11
  179.09408 2.028275 20
  192.101905 2.179072 21
  194.117555 99.999997 999
//