ACCESSION: MSBNK-EPA-ENTACT_AGILENT002078
RECORD_TITLE: 7-Diethylamino-4-methylcoumarin; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-001i-0090000000-9ab84ea2944f98f98064
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  188.070605 1.551645 15
  203.09408 4.12261 41
  204.101905 2.278437 22
  232.133205 99.999998 999
//