ACCESSION: MSBNK-EPA-ENTACT_AGILENT000126
RECORD_TITLE: 7-(Dimethylamino)-4-methylcoumarin; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00lr-1900000000-9e90c2b4e43aa2729250
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  39.022927 1.939811 19
  41.038577 1.705461 17
  42.033826 10.100195 100
  44.049476 7.970506 79
  51.022927 2.464435 24
  55.017841 1.014135 10
  55.041651 2.730285 27
  55.054227 1.069766 10
  56.049476 1.195854 11
  63.022927 1.025378 10
  65.038577 5.082133 50
  67.017841 2.205105 22
  67.054227 2.426456 24
  68.049476 1.270265 12
  70.065126 6.457313 64
  72.04439 3.855444 38
  77.038577 30.970921 309
  78.046402 4.489723 44
  79.054227 17.789261 177
  82.065126 1.263423 12
  89.038577 2.785961 27
  90.046402 1.716783 17
  91.054227 25.825918 258
  92.062052 1.085066 10
  93.069877 1.193051 11
  94.065126 2.141548 21
  102.046402 1.32524 13
  103.054227 29.11967 290
  104.049476 4.208338 42
  104.062052 9.361117 93
  105.057301 2.057462 20
  105.069877 22.712095 226
  106.065126 3.956721 39
  107.049141 1.010114 10
  107.072951 4.821057 48
  108.080776 1.345781 13
  115.054227 37.460982 374
  116.049476 2.672328 26
  116.062052 17.225801 172
  117.057301 14.190691 141
  117.069877 9.486113 94
  118.041316 1.44275 14
  118.065126 48.611779 485
  119.072951 3.776508 37
  120.080776 26.502421 264
  121.088601 15.356418 153
  128.062052 1.268161 12
  129.069877 1.064915 10
  130.065126 12.763568 127
  131.049141 16.227565 162
  131.072951 10.99749 109
  132.056966 12.662227 126
  132.080776 99.999999 999
  133.064791 1.083537 10
  133.088601 43.630076 435
  134.096426 6.592826 65
  136.07569 2.0762 20
  142.065126 2.558296 25
  143.072951 7.390489 73
  144.04439 1.368569 13
  144.080776 36.148952 361
  145.052215 5.112007 51
  145.088601 3.343098 33
  146.06004 9.094523 90
  146.096426 24.736674 247
  147.067865 1.636491 16
  147.104251 12.340521 123
  148.112076 29.802497 297
  158.06004 1.397786 13
  158.096426 13.041389 130
  159.104251 1.065072 10
  160.051881 4.96191 49
  160.07569 58.570914 585
  161.059706 1.038146 10
  161.083515 20.087866 200
  174.09134 4.319024 43
  188.070605 26.285706 262
  204.101905 1.668992 16
//