ACCESSION: MSBNK-EPA-ENTACT_AGILENT002077
RECORD_TITLE: 7-Diethylamino-4-methylcoumarin; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-001i-0290000000-8eacc5ccc1d6130e071d
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  132.080776 1.444681 14
  144.080776 2.225215 22
  160.07569 2.129569 21
  174.09134 1.395005 13
  175.099165 3.098777 30
  176.143376 3.865008 38
  188.070605 20.531547 205
  188.143376 2.880135 28
  202.086255 2.196528 21
  203.09408 22.360122 223
  204.101905 8.794587 87
  204.138291 2.722803 27
  232.133205 100.000002 999
//