ACCESSION: MSBNK-EPA-ENTACT_AGILENT002079
RECORD_TITLE: 7-Diethylamino-4-methylcoumarin; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 7-Diethylamino-4-methylcoumarin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₇NO₂
CH$EXACT_MASS: 231.1259287943
CH$SMILES: CC1=CC(=O)OC2=CC(=CC=C12)N(CC)CC
CH$IUPAC: InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3
CH$LINK: CAS 91-44-1
CH$LINK: INCHIKEY AFYCEAFSNDLKSX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7050

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$FOCUSED_ION: PRECURSOR_M/Z 232.133205246
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0900000000-8ea5216b814827c4c7c5
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  42.033826 1.161218 11
  67.017841 1.597103 15
  68.01309 2.907704 29
  77.038577 4.506412 45
  79.054227 3.942037 39
  91.054227 7.861747 78
  93.069877 2.381288 23
  103.054227 8.235541 82
  104.049476 2.469553 24
  104.062052 2.271544 22
  105.069877 9.240361 92
  106.065126 1.14287 11
  115.054227 11.679912 116
  116.062052 17.338737 173
  117.057301 2.974503 29
  117.069877 4.532488 45
  118.065126 4.68825 46
  119.072951 2.58191 25
  120.080776 2.254747 22
  121.064791 2.28006 22
  130.065126 3.45216 34
  131.049141 8.253498 82
  131.072951 2.496956 24
  132.056966 16.734045 167
  132.080776 17.592711 175
  133.064791 1.432835 14
  133.088601 1.376765 13
  134.096426 1.389127 13
  142.065126 1.344158 13
  143.072951 3.000356 29
  144.080776 11.951415 119
  145.052215 1.150694 11
  146.06004 6.030131 60
  146.096426 4.739804 47
  147.067865 1.921808 19
  148.112076 2.789159 27
  158.096426 1.73352 17
  160.051881 3.392668 33
  160.07569 41.157707 411
  160.112076 3.258001 32
  161.119901 1.541306 15
  172.112076 1.757717 17
  174.067531 7.497752 74
  174.09134 14.233933 142
  174.127726 1.189331 11
  175.099165 2.241551 22
  176.143376 4.796531 47
  188.070605 100.000002 999
  188.119567 2.725697 27
  188.143376 1.619995 16
  202.086255 5.785263 57
  216.101905 1.853253 18
  232.133205 1.370488 13
//