ACCESSION: MSBNK-EPA-ENTACT_AGILENT001994
RECORD_TITLE: 4-(Diethylamino)salicylaldehyde; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0v6u-9800000000-e2a0ebe5f4872a9fa1fa
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
  29.038577 1.803474 18
  39.022927 2.776212 27
  41.026001 1.623117 16
  41.038577 1.779905 17
  42.033826 4.91 49
  44.049476 6.726986 67
  51.022927 13.519447 135
  52.030752 1.095606 10
  54.033826 4.491615 44
  54.046402 1.168566 11
  55.017841 3.215314 32
  55.054227 3.262751 32
  56.049476 1.259375 12
  58.065126 7.728694 77
  63.022927 1.750915 17
  64.030752 8.169003 81
  65.038577 77.7648 776
  65.083515 1.099606 10
  66.033826 1.195358 11
  66.046402 5.374803 53
  67.041651 2.962599 29
  67.054227 8.025598 80
  68.049476 4.01333 40
  69.033491 1.933414 19
  70.065126 6.29742 62
  72.080776 3.070647 30
  76.030752 2.782012 27
  77.038577 99.999995 999
  77.083515 1.171632 11
  78.033826 14.340427 143
  78.046402 14.878134 148
  79.054227 12.556424 125
  80.049476 10.699379 106
  81.057301 4.494543 44
  81.069877 1.170718 11
  82.041316 5.127084 51
  82.065126 4.149646 41
  83.049141 2.095616 20
  89.038577 1.972682 19
  90.046402 1.142664 11
  91.041651 10.93565 109
  91.054227 31.551272 315
  92.025666 3.305305 33
  92.049476 20.153108 201
  93.033491 16.360936 163
  93.057301 3.323853 33
  93.069877 3.651 36
  94.041316 64.175575 641
  94.065126 14.155716 141
  95.049141 17.512571 174
  102.033826 2.013945 20
  103.054227 5.458823 54
  104.049476 42.137573 420
  105.033491 2.496043 24
  105.057301 22.239338 222
  106.02874 1.007719 10
  106.065126 3.635382 36
  107.049141 15.833869 158
  107.072951 1.392222 13
  108.04439 6.043136 60
  108.080776 1.026122 10
  109.052215 15.987548 159
  109.088601 1.123782 11
  110.06004 4.478972 44
  110.096426 4.479536 44
  116.049476 2.43394 24
  117.057301 7.751222 77
  118.065126 35.396746 353
  119.049141 3.143848 31
  119.072951 3.584493 35
  120.04439 10.926486 109
  120.080776 3.506903 35
  121.028406 1.818769 18
  121.052215 1.933482 19
  122.036231 4.122526 41
  122.06004 93.717596 936
  122.096426 1.8703 18
  123.044056 1.274777 12
  131.072951 1.369081 13
  132.04439 9.574588 95
  132.080776 14.857046 148
  133.052215 1.917313 19
  133.088601 16.173697 161
  133.10973 1.510286 15
  134.06004 3.538846 35
  135.044056 2.260477 22
  135.067865 1.301934 13
  136.039305 2.013285 20
  136.051881 2.546996 25
  136.07569 11.368538 113
  136.112076 1.589538 15
  137.083515 2.93036 29
  138.054955 1.011073 10
  138.09134 5.173559 51
  146.06004 3.044669 30
  147.104251 1.230359 12
  148.039305 10.637007 106
  148.07569 3.818269 38
  149.083515 2.725439 27
  150.054955 85.223224 851
  150.09134 16.244769 162
  151.06278 1.351916 13
  160.07569 3.971064 39
  164.10699 1.397373 13
  166.086255 1.309871 13
  176.070605 1.460352 14
  178.086255 2.258256 22
  192.101905 1.370443 13
//