ACCESSION: MSBNK-EPA-ENTACT_AGILENT000125
RECORD_TITLE: 7-(Dimethylamino)-4-methylcoumarin; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 7-(Dimethylamino)-4-methylcoumarin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₃NO₂
CH$EXACT_MASS: 203.0946286667
CH$SMILES: CC1=CC(=O)OC2C=C(C=CC1=2)N(C)C
CH$IUPAC: InChI=1S/C12H13NO2/c1-8-6-12(14)15-11-7-9(13(2)3)4-5-10(8)11/h4-7H,1-3H3
CH$LINK: CAS 87-01-4
CH$LINK: INCHIKEY GZEYLLPOQRZUDF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6867

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$FOCUSED_ION: PRECURSOR_M/Z 204.1019051184
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0790000000-0ed68800fa4826bc8beb
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  91.054227 1.594313 15
  103.054227 1.074705 10
  105.069877 1.260084 12
  115.054227 1.037059 10
  116.062052 1.215954 12
  117.057301 1.340114 13
  117.069877 1.429945 14
  118.065126 2.535254 25
  130.065126 1.706189 17
  131.072951 2.053756 20
  132.080776 4.570591 45
  133.088601 3.110393 31
  144.080776 5.651383 56
  145.088601 5.79542 57
  146.096426 1.939056 19
  148.112076 19.197788 191
  158.096426 2.175362 21
  159.104251 1.045391 10
  160.07569 1.074479 10
  160.112076 6.248078 62
  161.083515 7.597127 75
  176.10699 5.348057 53
  188.070605 1.759451 17
  189.07843 4.206087 42
  204.101905 99.999998 999
//